 Entering Gaussian System, Link 0=g16
 Input=01_S_methyloxirane_STD_B3LYPDBJ-def2SVPDr.in
 Output=01_S_methyloxirane_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/01_S_methyloxirane_STD/Gau-14214.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/01_S_methyloxirane_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     14215.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                14-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=01_S_methyloxirane_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Jul 14 16:27:23 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "01_S_methyloxirane_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.037946000000      0.616050000000     -0.060586000000
  C                                                 0.152167000000     -0.036181000000      0.486338000000
  O                                                -0.827309000000     -0.787855000000     -0.240257000000
  H                                                -0.946334000000      1.214879000000     -0.962405000000
  H                                                -1.863621000000      0.880906000000      0.593045000000
  H                                                 0.153731000000     -0.252078000000      1.553032000000
  C                                                 1.505323000000      0.097870000000     -0.148585000000
  H                                                 1.410483000000      0.321151000000     -1.211784000000
  H                                                 2.073470000000     -0.828389000000     -0.041354000000
  H                                                 2.073478000000      0.899940000000      0.328527000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     10 NQM=       10 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          16           1           1           1          12           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           1           1           1           0           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Wed Jul 14 16:27:24 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.463181   0.000000
     3  O    1.430943   1.432595   0.000000
     4  H    1.086401   2.206969   2.132278   0.000000
     5  H    1.085874   2.217169   2.133799   1.836404   0.000000
     6  H    2.185750   1.088324   2.113145   3.112801   2.504982
     7  C    2.597012   1.500709   2.496815   2.814362   3.537364
     8  H    2.721585   2.143517   2.679827   2.532889   3.780276
     9  H    3.430406   2.144168   2.907873   3.760651   4.338760
    10  H    3.148486   2.143050   3.403929   3.299236   3.946021
                    6          7          8          9         10
     6  H    0.000000
     7  C    2.201083   0.000000
     8  H    3.090667   1.090523   0.000000
     9  H    2.561171   1.091900   1.769435   0.000000
    10  H    2.551859   1.092590   1.774012   1.767465   0.000000
 Stoichiometry    C3H6O
 Framework group  C1[X(C3H6O)]
 Deg. of freedom    24
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.36D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.037946    0.616050   -0.060586
      2          6           0        0.152167   -0.036181    0.486338
      3          8           0       -0.827309   -0.787855   -0.240257
      4          1           0       -0.946334    1.214879   -0.962405
      5          1           0       -1.863621    0.880906    0.593045
      6          1           0        0.153731   -0.252078    1.553032
      7          6           0        1.505323    0.097870   -0.148585
      8          1           0        1.410483    0.321151   -1.211784
      9          1           0        2.073470   -0.828389   -0.041354
     10          1           0        2.073478    0.899940    0.328527
 ---------------------------------------------------------------------
 Rotational constants (GHZ):          18.2186332           6.6800760           5.9518073
 Leave Link  202 at Wed Jul 14 16:27:24 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       4      5      6      8      9     10
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   139 symmetry adapted cartesian basis functions of A   symmetry.
 There are   131 symmetry adapted basis functions of A   symmetry.
   131 basis functions,   191 primitive gaussians,   139 cartesian basis functions
    16 alpha electrons       16 beta electrons
       nuclear repulsion energy       124.8385457136 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   10 NActive=   10 NUniq=   10 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0093169038 Hartrees.
 Nuclear repulsion after empirical dispersion term =      124.8292288098 Hartrees.
 Leave Link  301 at Wed Jul 14 16:27:25 2021, MaxMem=  5637144576 cpu:               5.8 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   131 RedAO= T EigKep=  1.04D-04  NBF=   131
 NBsUse=   131 1.00D-06 EigRej= -1.00D+00 NBFU=   131
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   139   139   139   139   139 MxSgAt=    10 MxSgA2=    10.
 Leave Link  302 at Wed Jul 14 16:27:26 2021, MaxMem=  5637144576 cpu:               2.2 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Jul 14 16:27:27 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "01_S_methyloxirane_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Jul 14 16:27:29 2021, MaxMem=  5637144576 cpu:              10.1 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Keep R1 ints in memory in canonical form, NReq=45084883.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   8646 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5599722337 LenY=  5599702575
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.

 Cycle   1  Pass 1  IDiag  1:
 E= -192.986663375347    
 DIIS: error= 4.12D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -192.986663375347     IErMin= 1 ErrMin= 4.12D-03
 ErrMax= 4.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.84D-03 BMatP= 3.84D-03
 IDIUse=3 WtCom= 9.59D-01 WtEn= 4.12D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.317 Goal=   None    Shift=    0.000
 GapD=    0.317 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=5.33D-03 MaxDP=1.38D-01              OVMax= 2.10D-02

 Cycle   2  Pass 1  IDiag  1:
 E= -192.990314529524     Delta-E=       -0.003651154177 Rises=F Damp=F
 DIIS: error= 1.09D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -192.990314529524     IErMin= 2 ErrMin= 1.09D-03
 ErrMax= 1.09D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.93D-04 BMatP= 3.84D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.09D-02
 Coeff-Com:  0.991D-01 0.901D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.980D-01 0.902D+00
 Gap=     0.309 Goal=   None    Shift=    0.000
 RMSDP=3.35D-04 MaxDP=8.21D-03 DE=-3.65D-03 OVMax= 9.69D-03

 Cycle   3  Pass 1  IDiag  1:
 E= -192.990073684668     Delta-E=        0.000240844855 Rises=F Damp=F
 DIIS: error= 1.80D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -192.990314529524     IErMin= 2 ErrMin= 1.09D-03
 ErrMax= 1.80D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.28D-04 BMatP= 2.93D-04
 IDIUse=3 WtCom= 1.91D-01 WtEn= 8.09D-01
 Coeff-Com: -0.106D-01 0.600D+00 0.411D+00
 Coeff-En:   0.000D+00 0.643D+00 0.357D+00
 Coeff:     -0.202D-02 0.635D+00 0.367D+00
 Gap=     0.302 Goal=   None    Shift=    0.000
 RMSDP=1.47D-04 MaxDP=4.51D-03 DE= 2.41D-04 OVMax= 5.40D-03

 Cycle   4  Pass 1  IDiag  1:
 E= -192.990544842230     Delta-E=       -0.000471157562 Rises=F Damp=F
 DIIS: error= 2.17D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -192.990544842230     IErMin= 4 ErrMin= 2.17D-04
 ErrMax= 2.17D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.90D-06 BMatP= 2.93D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.17D-03
 Coeff-Com: -0.891D-02 0.277D+00 0.154D+00 0.578D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.889D-02 0.276D+00 0.153D+00 0.579D+00
 Gap=     0.301 Goal=   None    Shift=    0.000
 RMSDP=3.03D-05 MaxDP=7.18D-04 DE=-4.71D-04 OVMax= 6.77D-04

 Cycle   5  Pass 1  IDiag  1:
 E= -192.990552170091     Delta-E=       -0.000007327860 Rises=F Damp=F
 DIIS: error= 5.14D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -192.990552170091     IErMin= 5 ErrMin= 5.14D-05
 ErrMax= 5.14D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.81D-07 BMatP= 7.90D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.198D-02 0.285D-01 0.120D-01 0.195D+00 0.766D+00
 Coeff:     -0.198D-02 0.285D-01 0.120D-01 0.195D+00 0.766D+00
 Gap=     0.301 Goal=   None    Shift=    0.000
 RMSDP=8.71D-06 MaxDP=1.82D-04 DE=-7.33D-06 OVMax= 1.66D-04

 Cycle   6  Pass 1  IDiag  1:
 E= -192.990552467863     Delta-E=       -0.000000297772 Rises=F Damp=F
 DIIS: error= 7.05D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -192.990552467863     IErMin= 6 ErrMin= 7.05D-06
 ErrMax= 7.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.07D-08 BMatP= 2.81D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.340D-03-0.409D-04-0.153D-02 0.424D-01 0.254D+00 0.705D+00
 Coeff:     -0.340D-03-0.409D-04-0.153D-02 0.424D-01 0.254D+00 0.705D+00
 Gap=     0.301 Goal=   None    Shift=    0.000
 RMSDP=1.85D-06 MaxDP=3.70D-05 DE=-2.98D-07 OVMax= 4.38D-05

 Cycle   7  Pass 1  IDiag  1:
 E= -192.990552477386     Delta-E=       -0.000000009523 Rises=F Damp=F
 DIIS: error= 3.18D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -192.990552477386     IErMin= 7 ErrMin= 3.18D-06
 ErrMax= 3.18D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.07D-09 BMatP= 1.07D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.471D-05-0.245D-02-0.175D-02 0.443D-02 0.660D-01 0.351D+00
 Coeff-Com:  0.582D+00
 Coeff:     -0.471D-05-0.245D-02-0.175D-02 0.443D-02 0.660D-01 0.351D+00
 Coeff:      0.582D+00
 Gap=     0.301 Goal=   None    Shift=    0.000
 RMSDP=5.21D-07 MaxDP=1.31D-05 DE=-9.52D-09 OVMax= 1.90D-05

 Cycle   8  Pass 1  IDiag  1:
 E= -192.990552479281     Delta-E=       -0.000000001895 Rises=F Damp=F
 DIIS: error= 6.87D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -192.990552479281     IErMin= 8 ErrMin= 6.87D-07
 ErrMax= 6.87D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.31D-11 BMatP= 2.07D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.233D-04-0.961D-03-0.513D-03-0.161D-02 0.734D-02 0.847D-01
 Coeff-Com:  0.233D+00 0.678D+00
 Coeff:      0.233D-04-0.961D-03-0.513D-03-0.161D-02 0.734D-02 0.847D-01
 Coeff:      0.233D+00 0.678D+00
 Gap=     0.301 Goal=   None    Shift=    0.000
 RMSDP=1.50D-07 MaxDP=2.32D-06 DE=-1.90D-09 OVMax= 3.76D-06

 Cycle   9  Pass 1  IDiag  1:
 E= -192.990552479381     Delta-E=       -0.000000000100 Rises=F Damp=F
 DIIS: error= 1.36D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -192.990552479381     IErMin= 9 ErrMin= 1.36D-07
 ErrMax= 1.36D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.28D-12 BMatP= 9.31D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.653D-05-0.162D-03-0.622D-04-0.627D-03-0.755D-03 0.892D-02
 Coeff-Com:  0.425D-01 0.216D+00 0.734D+00
 Coeff:      0.653D-05-0.162D-03-0.622D-04-0.627D-03-0.755D-03 0.892D-02
 Coeff:      0.425D-01 0.216D+00 0.734D+00
 Gap=     0.301 Goal=   None    Shift=    0.000
 RMSDP=2.80D-08 MaxDP=7.83D-07 DE=-9.99D-11 OVMax= 5.91D-07

 Cycle  10  Pass 1  IDiag  1:
 E= -192.990552479383     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 5.48D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -192.990552479383     IErMin=10 ErrMin= 5.48D-08
 ErrMax= 5.48D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.53D-13 BMatP= 3.28D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-05-0.105D-04 0.337D-05-0.189D-03-0.990D-03-0.256D-02
 Coeff-Com:  0.236D-02 0.511D-01 0.343D+00 0.608D+00
 Coeff:      0.171D-05-0.105D-04 0.337D-05-0.189D-03-0.990D-03-0.256D-02
 Coeff:      0.236D-02 0.511D-01 0.343D+00 0.608D+00
 Gap=     0.301 Goal=   None    Shift=    0.000
 RMSDP=8.97D-09 MaxDP=2.50D-07 DE=-1.65D-12 OVMax= 1.96D-07

 SCF Done:  E(RB3LYP) =  -192.990552479     A.U. after   10 cycles
            NFock= 10  Conv=0.90D-08     -V/T= 2.0106
 KE= 1.909749844499D+02 PE=-6.986922480777D+02 EE= 1.898974823386D+02
 Leave Link  502 at Wed Jul 14 16:27:38 2021, MaxMem=  5637144576 cpu:              64.9 elap:               9.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   131
 NBasis=   131 NAE=    16 NBE=    16 NFC=     0 NFV=     0
 NROrb=    131 NOA=    16 NOB=    16 NVA=   115 NVB=   115

 **** Warning!!: The largest alpha MO coefficient is  0.26945520D+02

 Leave Link  801 at Wed Jul 14 16:27:39 2021, MaxMem=  5637144576 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         3002 words used for storage of precomputed grid.
 Keep R1 and R3 ints in memory in canonical form, NReq=84484459.
 FoFCou: FMM=F IPFlag=           0 FMFlag=           0 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       600 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=   8646 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Two-electron integral symmetry not used.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=       0.
          Doing perturbations at frequencies    0.085645
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.07D-14 8.33D-09 XBig12= 1.00D+00 3.80D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.07D-14 8.33D-09 XBig12= 3.37D-01 7.32D-02.
     11 vectors produced by pass  2 Test12= 3.07D-14 8.33D-09 XBig12= 3.59D-02 4.51D-02.
     11 vectors produced by pass  3 Test12= 3.07D-14 8.33D-09 XBig12= 7.07D-04 5.83D-03.
     11 vectors produced by pass  4 Test12= 3.07D-14 8.33D-09 XBig12= 6.25D-06 4.65D-04.
     11 vectors produced by pass  5 Test12= 3.07D-14 8.33D-09 XBig12= 3.69D-08 3.61D-05.
     11 vectors produced by pass  6 Test12= 3.07D-14 8.33D-09 XBig12= 1.31D-10 2.40D-06.
      5 vectors produced by pass  7 Test12= 3.07D-14 8.33D-09 XBig12= 4.29D-13 1.36D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 1.07D-14
 Solved reduced A of dimension    82 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.471671D+02
      2 -0.239679D+01  0.387643D+02
      3  0.823064D+00 -0.649055D+00  0.384637D+02
 Isotropic polarizability for W=    0.085645       41.47 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.236425D+02 -0.637704D-02  0.287615D+01
      2  -0.140628D+02  0.440942D+01 -0.715250D+01
      3  -0.957971D+01 -0.440304D+01  0.427636D+01
      4   0.168661D+02  0.695194D+01 -0.119788D+01
      5   0.483247D+01  0.301041D+00  0.131481D+02
      6  -0.172961D+01 -0.457008D+01  0.133914D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.867598D+00  0.731016D+00 -0.609762D+01
      2  -0.412586D+01  0.768914D+00  0.706983D+01
      3   0.349321D+01 -0.626931D+01 -0.159817D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.149892D+01  0.258242D+01 -0.177944D+02
      2  -0.195632D+01  0.531725D+00  0.227278D+02
      3   0.168725D+02 -0.210147D+02 -0.203065D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.398984D-01  0.926973D+00  0.535861D+00
      2   0.926973D+00 -0.232355D+00  0.140061D-01
      3   0.535861D+00  0.140061D-01  0.310594D+00
 OR G Eigenvalues:    -1.1559     0.1522     1.0421  Iso=    -0.0128
 Eigenvectors:
   (1)   0.686291  -0.685099  -0.244221
   (2)  -0.229107  -0.522315   0.821399
   (3)   0.690300   0.507766   0.515422
 w=    0.085645 a.u., Optical Rotation Beta=     -0.0128 au.
 Molar Mass =     58.0798 grams/mole, [Alpha] ( 5320.0 A) =      -10.44 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=    8646 ScalPx= 9.76D+00
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    8646 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.82D+01
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.11D-15 2.78D-09 XBig12= 1.00D+00 4.11D-01.
     30 vectors produced by pass  1 Test12= 5.11D-15 2.78D-09 XBig12= 1.14D-02 2.17D-02.
     30 vectors produced by pass  2 Test12= 5.11D-15 2.78D-09 XBig12= 1.48D-04 1.62D-03.
     30 vectors produced by pass  3 Test12= 5.11D-15 2.78D-09 XBig12= 8.44D-07 1.21D-04.
     30 vectors produced by pass  4 Test12= 5.11D-15 2.78D-09 XBig12= 1.16D-09 5.00D-06.
     30 vectors produced by pass  5 Test12= 5.11D-15 2.78D-09 XBig12= 7.69D-13 1.10D-07.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   180 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    8646 ScalPx= 2.79D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=    8646 ScalPx= 2.79D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=    8646 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.13D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.471671D+02 -0.239679D+01  0.823064D+00
      2  -0.239679D+01  0.387643D+02 -0.649055D+00
      3   0.823064D+00 -0.649055D+00  0.384637D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.867598D+00  0.731016D+00 -0.609762D+01
      2  -0.412586D+01  0.768914D+00  0.706983D+01
      3   0.349321D+01 -0.626931D+01 -0.159817D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.236425D+02 -0.637704D-02  0.287615D+01
      2  -0.140628D+02  0.440942D+01 -0.715250D+01
      3  -0.957971D+01 -0.440304D+01  0.427636D+01
      4   0.168661D+02  0.695194D+01 -0.119788D+01
      5   0.483247D+01  0.301041D+00  0.131481D+02
      6  -0.172961D+01 -0.457008D+01  0.133914D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.380497D+01  0.118892D+01 -0.414687D+01 -0.180185D+00 -0.949521D+00
      2   0.118892D+01 -0.208893D+00  0.197060D+01 -0.949521D+00  0.507036D+01
      3  -0.414687D+01  0.197060D+01  0.556563D-02  0.907889D+00  0.223302D+01
                 6             7             8             9            10 
      1   0.907889D+00 -0.621031D+01  0.208844D+01  0.419426D+00  0.693467D+01
      2   0.223302D+01  0.208844D+01  0.247872D+01 -0.251127D+01 -0.109316D+01
      3  -0.242314D+01  0.419426D+00 -0.251127D+01  0.159157D+01  0.311586D+01
                11            12            13            14            15 
      1  -0.109316D+01  0.311586D+01 -0.121838D+01  0.460419D+01  0.469807D+00
      2   0.233580D+01  0.834838D-01  0.460419D+01 -0.364890D-01  0.137502D+01
      3   0.834838D-01 -0.872297D-01  0.469807D+00  0.137502D+01  0.140773D+01
                16            17            18            19            20 
      1   0.434760D+01  0.798666D+00  0.769368D+00 -0.405969D+01 -0.372915D+01
      2   0.798666D+00  0.885958D+00  0.169437D+01 -0.372915D+01 -0.853155D+00
      3   0.769368D+00  0.169437D+01 -0.764754D+01 -0.128643D+01 -0.280369D+00
                21            22            23            24            25 
      1  -0.128643D+01 -0.198176D+01 -0.279529D+01 -0.673882D+00 -0.188175D+01
      2  -0.280369D+00 -0.279529D+01 -0.909335D+01 -0.183092D+01 -0.129208D+01
      3   0.233947D+00 -0.673882D+00 -0.183092D+01 -0.577899D+00 -0.136305D+01
                26            27            28            29            30 
      1  -0.129208D+01 -0.136305D+01 -0.201697D+00  0.946374D+00 -0.346181D+00
      2  -0.149218D+01 -0.231968D+01  0.946374D+00 -0.218920D-01 -0.443572D+00
      3  -0.231968D+01 -0.144346D+01 -0.346181D+00 -0.443572D+00  0.217628D+00
                31            32            33            34            35 
      1   0.124056D+01 -0.742692D+00  0.329345D+00 -0.976439D+00  0.295915D+00
      2  -0.742692D+00  0.336358D+01 -0.280830D+01  0.295915D+00 -0.327507D+01
      3   0.329345D+00 -0.280830D+01  0.261692D+01 -0.731603D+00  0.317733D+01
                36            37            38            39            40 
      1  -0.731603D+00 -0.662348D+01  0.228194D+01  0.278819D+01  0.191677D+01
      2   0.317733D+01  0.228194D+01 -0.190905D+01 -0.972588D+00 -0.191289D+01
      3  -0.510905D+01  0.278819D+01 -0.972588D+00 -0.216129D+01 -0.698862D+00
                41            42            43            44            45 
      1  -0.191289D+01 -0.698862D+00  0.411801D+01 -0.138067D+01 -0.254134D+01
      2   0.133640D+01  0.601834D+00 -0.138067D+01  0.860567D+00  0.155667D+01
      3   0.601834D+00  0.934754D+00 -0.254134D+01  0.155667D+01  0.267502D+01
                46            47            48            49            50 
      1   0.764185D+00 -0.109813D+00  0.120382D+01 -0.207052D+00 -0.379792D+00
      2  -0.109813D+00 -0.183573D+00 -0.700250D-01 -0.379792D+00 -0.776221D+00
      3   0.120382D+01 -0.700250D-01  0.167308D+00 -0.373430D-01  0.120072D+01
                51            52            53            54            55 
      1  -0.373430D-01  0.159159D+01 -0.198625D+00  0.445654D+00 -0.219109D+01
      2   0.120072D+01 -0.198625D+00  0.128603D+01 -0.140299D+01  0.801257D+00
      3  -0.150599D+01  0.445654D+00 -0.140299D+01  0.105227D+02 -0.237594D+01
                56            57            58            59            60 
      1   0.801257D+00 -0.237594D+01  0.110783D+01 -0.596800D+01 -0.130095D+01
      2  -0.487980D+01 -0.115392D+01 -0.596800D+01  0.139894D+01 -0.166302D+01
      3  -0.115392D+01  0.479801D+00 -0.130095D+01 -0.166302D+01 -0.246335D+01
                61            62            63            64            65 
      1  -0.256017D+01 -0.130431D+01 -0.459545D+00 -0.378582D-01  0.147329D+00
      2  -0.130431D+01 -0.185612D+01 -0.222989D+01  0.147329D+00  0.400536D+00
      3  -0.459545D+00 -0.222989D+01  0.621036D+01 -0.608748D+00  0.125391D+00
                66            67            68            69            70 
      1  -0.608748D+00  0.369008D+00  0.836260D+00 -0.104473D+00 -0.193065D+01
      2   0.125391D+00  0.836260D+00  0.498209D+00 -0.950357D+00 -0.628990D-01
      3  -0.465285D+00 -0.104473D+00 -0.950357D+00  0.125515D+01  0.113339D+01
                71            72            73            74            75 
      1  -0.628990D-01  0.113339D+01  0.466076D+01 -0.258877D+01  0.360086D+00
      2  -0.129671D+01  0.119752D+01 -0.258877D+01  0.293937D+01 -0.106140D-01
      3   0.119752D+01 -0.789669D+01  0.360086D+00 -0.106140D-01  0.635409D+00
                76            77            78            79            80 
      1  -0.456907D+01  0.399428D+01  0.159214D+00  0.909204D+00 -0.294323D-01
      2   0.399428D+01 -0.571123D+01  0.378787D+00 -0.294323D-01  0.625480D+00
      3   0.159214D+00  0.378787D+00 -0.975997D+00  0.911243D+00 -0.689816D+00
                81            82            83            84            85 
      1   0.911243D+00  0.455917D+01  0.215507D+01  0.129621D+01  0.352228D+01
      2  -0.689816D+00  0.215507D+01  0.238067D+01  0.751621D+00  0.331346D+01
      3  -0.277781D+00  0.129621D+01  0.751621D+00  0.974147D+00  0.949256D+00
                86            87            88            89            90 
      1   0.331346D+01  0.949256D+00  0.259293D+01  0.108501D+01  0.141646D+01
      2   0.394980D+01  0.146322D+01  0.108501D+01  0.178332D+01  0.152775D+01
      3   0.146322D+01  0.173182D+01  0.141646D+01  0.152775D+01  0.137482D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.636875D+01 -0.238187D+01 -0.366686D+00 -0.247267D+01 -0.143723D+01
      2   0.668364D+01 -0.393712D+01  0.197290D+01 -0.221079D+01 -0.189131D+01
      3   0.963028D+00 -0.401787D+01 -0.112681D+01  0.616085D+00  0.316432D+01
                 6             7             8             9            10 
      1   0.212235D+01 -0.330307D+01  0.596245D+01 -0.180144D+01 -0.218316D+01
      2   0.411773D+01 -0.201301D+01  0.441888D+01  0.930461D-01 -0.272611D+01
      3   0.418995D+01 -0.351906D+01  0.483742D+01 -0.242436D+01  0.635370D+00
                11            12            13            14            15 
      1   0.228146D+01  0.673401D-02  0.243282D+01 -0.672976D+00 -0.238208D+01
      2   0.117241D+01 -0.138046D+01  0.188232D+01 -0.197960D+01 -0.782447D+00
      3  -0.210195D+01  0.140111D+00  0.579896D+01  0.109368D+01 -0.575700D-01
                16            17            18            19            20 
      1   0.106455D+01  0.560362D+00  0.197399D+01 -0.193456D+01 -0.723706D+00
      2  -0.852492D+01  0.435819D+00 -0.472738D+01  0.194487D+01  0.127188D+01
      3   0.101342D+01 -0.999597D+00 -0.479657D+00  0.161751D+01 -0.298007D+01
                21            22            23            24            25 
      1  -0.255087D+01 -0.128505D+01  0.255736D+01 -0.800393D+01 -0.131516D+01
      2   0.433454D+01 -0.149947D+01  0.238775D+01  0.259014D+01 -0.295149D+01
      3   0.282725D+00  0.851885D+01 -0.967666D+01 -0.150339D+01  0.278906D+01
                26            27            28            29            30 
      1   0.296418D+01 -0.236809D+01  0.256772D+00  0.513431D+00 -0.255256D+00
      2   0.196538D+01  0.215024D+01  0.109926D+01  0.362623D+00  0.235945D+00
      3  -0.101631D+01 -0.524552D+00  0.132340D+01  0.274399D+00 -0.555122D+00
                31            32            33            34            35 
      1  -0.198199D+00  0.842186D+00 -0.349128D+01  0.372554D+00 -0.526640D+00
      2   0.815446D+00  0.338944D+01 -0.337480D+01 -0.197912D+01 -0.366445D+01
      3   0.194580D+01  0.400799D+01 -0.312355D+01 -0.173091D+01 -0.383245D+01
                36            37            38            39            40 
      1   0.591300D+01 -0.309307D+01 -0.208643D+00  0.283646D+01  0.503476D+00
      2   0.612817D+01 -0.226437D+01  0.119514D+01  0.469906D+01  0.626580D+00
      3   0.389983D+01 -0.318247D+01 -0.275266D+01  0.117627D+01  0.199278D+00
                41            42            43            44            45 
      1  -0.370281D+00 -0.166778D+01  0.272219D+01 -0.460681D+00 -0.326599D+01
      2  -0.998275D+00 -0.198237D+01  0.128309D+01 -0.183824D+01 -0.430967D+01
      3   0.883431D+00  0.388856D+00  0.240230D+01  0.819036D+00 -0.440560D+00
                46            47            48            49            50 
      1   0.675899D-01  0.151010D+00  0.514404D+00 -0.359606D+00 -0.902276D+00
      2  -0.131488D+00 -0.824584D-01  0.172759D+00  0.622924D+00  0.870399D+00
      3   0.298167D-01 -0.893996D+00  0.612131D-01  0.867728D+00 -0.190707D+00
                51            52            53            54            55 
      1   0.492973D+00 -0.358467D-01  0.424222D+01 -0.113568D+01  0.624236D+00
      2  -0.238808D+00 -0.428472D+01 -0.149874D+00  0.281339D+01 -0.472858D+01
      3  -0.330076D+00 -0.651893D+00 -0.402352D+00 -0.256950D+00 -0.824995D+00
                56            57            58            59            60 
      1   0.107226D+01  0.848947D-01  0.205942D+01 -0.192370D+00 -0.808369D+00
      2  -0.176710D+01  0.270689D+01 -0.208150D+01 -0.387343D+01 -0.407621D+01
      3   0.691357D+01  0.200281D+01  0.143154D+02 -0.342389D+01  0.261628D+01
                61            62            63            64            65 
      1  -0.213965D+00  0.266777D+01  0.334674D+00  0.268859D-01  0.218329D+00
      2  -0.452327D+01 -0.384202D+01  0.916367D+01 -0.191677D+01  0.122306D+00
      3   0.155204D+01  0.302453D+01  0.402167D+01 -0.403294D+00 -0.102660D+01
                66            67            68            69            70 
      1  -0.102504D+00  0.129367D+00 -0.327683D+00 -0.906414D+00 -0.231604D+00
      2   0.614051D+00  0.404577D+00 -0.124740D+01  0.251277D+01 -0.162821D+01
      3  -0.306491D+00 -0.419437D-01 -0.621680D+00  0.149015D+01 -0.549083D+00
                71            72            73            74            75 
      1   0.274182D+01  0.857366D+00  0.520955D+00 -0.677617D+00  0.804423D+00
      2   0.239561D+01 -0.136950D+02  0.482705D+00 -0.284387D+00  0.259014D+01
      3   0.240374D+01 -0.227479D+01  0.430909D+01 -0.695692D+01 -0.261457D-01
                76            77            78            79            80 
      1  -0.730726D+00  0.105624D+01 -0.218707D+01  0.300330D+00  0.700661D+00
      2   0.118539D+00  0.890301D+00 -0.292416D+01  0.465228D+00 -0.964708D+00
      3  -0.497068D+01  0.108894D+02 -0.687523D+00 -0.289330D+00 -0.115346D+01
                81            82            83            84            85 
      1   0.927966D-01 -0.654399D+00 -0.244647D+00 -0.971607D+00 -0.490382D+00
      2  -0.580997D+00  0.196838D+01  0.162221D+01  0.328610D+01  0.132138D+01
      3   0.830251D+00 -0.326906D+01 -0.584012D+01 -0.132398D+01 -0.366588D+01
                86            87            88            89            90 
      1  -0.228472D+00 -0.240032D+01 -0.558376D+00  0.530084D+00 -0.925198D+00
      2   0.245212D+01  0.415815D+01  0.572867D+00  0.244212D+01  0.255316D+01
      3  -0.732436D+01 -0.257180D+01 -0.101654D+01 -0.368056D+01 -0.235088D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.379594D+00  0.364245D-01  0.931841D+01  0.703915D+01  0.952213D+00
      2   0.159648D+01  0.828545D-01 -0.508460D+01 -0.662872D+01  0.374812D+01
      3  -0.121688D+01 -0.119279D+00 -0.423381D+01 -0.410429D+00 -0.470033D+01
      4   0.222171D+01 -0.989495D+00 -0.888560D+01 -0.250900D+01 -0.608966D+01
      5   0.159954D+02 -0.681084D+01 -0.255678D+01 -0.376554D+01 -0.164487D+01
      6  -0.714317D+01  0.353352D+01  0.346974D+01  0.381724D+01  0.823230D+01
                 6             7             8             9            10 
      1  -0.961209D+01  0.124073D+02 -0.954541D+01  0.203981D+01 -0.929526D+01
      2   0.598501D+01 -0.630153D+01  0.698282D+01 -0.227055D+01  0.221217D+01
      3   0.362708D+01 -0.610576D+01  0.256259D+01  0.230735D+00  0.708309D+01
      4   0.270827D+00 -0.797357D+01 -0.159976D+01  0.571797D+01  0.308511D+00
      5   0.107154D+02 -0.307650D+01  0.591792D+01  0.963372D+00  0.384645D+00
      6  -0.114140D+02  0.292224D+01 -0.760091D+01  0.538624D+01  0.117929D+01
                11            12            13            14            15 
      1  -0.129483D+01  0.416518D+01 -0.646285D+00 -0.154238D+01  0.676246D+00
      2   0.674691D+00 -0.287230D-01 -0.393522D+00  0.230263D+01 -0.117517D+01
      3   0.620135D+00 -0.413645D+01  0.103981D+01 -0.760246D+00  0.498919D+00
      4  -0.572804D+01  0.179157D+01  0.234453D+00 -0.277247D+01 -0.105973D+01
      5   0.101791D+01 -0.718343D+01  0.123368D+01 -0.723497D+00 -0.902982D+00
      6  -0.118591D+00  0.434996D+00  0.141235D+01 -0.166170D+00  0.288490D+01
                16            17            18            19            20 
      1   0.163684D+00 -0.240210D+01  0.134406D+02  0.665681D+01  0.582485D+01
      2  -0.801771D+00  0.146356D+00  0.673141D+01 -0.280254D+00 -0.232894D+01
      3   0.638087D+00  0.225574D+01 -0.201720D+02 -0.637656D+01 -0.349591D+01
      4   0.108557D+01 -0.176853D+01  0.197690D+01  0.106903D+02  0.134133D+02
      5   0.872697D+00  0.853748D+00 -0.602435D+01  0.241624D+01  0.274611D+01
      6   0.570917D+00 -0.112308D+00  0.465865D+01  0.305375D+01  0.123917D+01
                21            22            23            24            25 
      1  -0.172042D+01  0.119279D+01 -0.106639D+02 -0.177678D+01  0.920855D+00
      2  -0.225031D+01  0.268024D+01  0.184365D+02 -0.171310D+01 -0.440759D+00
      3   0.397074D+01 -0.387303D+01 -0.777262D+01  0.348989D+01 -0.480096D+00
      4   0.307259D+01  0.136617D+02  0.185648D+02  0.141164D+01  0.278017D+01
      5   0.861619D+01  0.340963D+01  0.793912D+00  0.130285D+01  0.552525D+01
      6   0.911679D+00 -0.146936D+01  0.283235D+01  0.116199D+02  0.260187D+01
                26            27            28            29            30 
      1  -0.163121D+01 -0.655401D+01  0.848354D+00 -0.283872D+01  0.127807D+01
      2   0.119194D+00 -0.475258D+00 -0.257440D+00  0.175185D+01 -0.355482D+00
      3   0.151202D+01  0.702927D+01 -0.590914D+00  0.108687D+01 -0.922586D+00
      4   0.413988D+01  0.529318D+01 -0.209404D+01  0.364090D+01 -0.135885D+01
      5   0.495900D+01  0.513158D+01 -0.238708D+00 -0.913604D+00  0.358550D+01
      6   0.895714D+01  0.569693D+01 -0.194541D+01 -0.116320D+01  0.120352D+00
                31            32            33            34            35 
      1  -0.183527D+01 -0.848317D+01  0.659844D+01  0.534228D+00  0.821271D+01
      2   0.761924D+00  0.101982D+02 -0.550571D+01 -0.605201D+00 -0.581294D+01
      3   0.107335D+01 -0.171502D+01 -0.109273D+01  0.709730D-01 -0.239976D+01
      4   0.511350D+01 -0.603158D+01  0.473133D+01 -0.311205D+01  0.567629D+01
      5  -0.231655D+01  0.560624D+01 -0.605345D+01  0.503822D+01 -0.666000D+01
      6   0.118120D+01 -0.118088D+02  0.111404D+02 -0.216669D+01  0.126260D+02
                36            37            38            39            40 
      1  -0.100978D+02  0.251351D+02 -0.534330D+01 -0.816611D+01 -0.445101D+01
      2   0.602019D+00 -0.123949D+02  0.547157D+00  0.528674D+01 -0.122714D+00
      3   0.949582D+01 -0.127402D+02  0.479614D+01  0.287937D+01  0.457372D+01
      4  -0.538728D+01 -0.156674D+02  0.106372D+02  0.618845D+01  0.103943D+02
      5   0.110486D+02 -0.144406D+02  0.494287D+01  0.109780D+02  0.331888D+01
      6  -0.154319D+02  0.662404D+01 -0.338749D+01 -0.510795D+01 -0.353767D+01
                41            42            43            44            45 
      1   0.301240D+01  0.961172D+00 -0.107593D+02  0.258336D+01  0.343959D+01
      2   0.922009D+00  0.471102D+00  0.717487D+01 -0.907894D+00 -0.531118D+01
      3  -0.393440D+01 -0.143227D+01  0.358440D+01 -0.167547D+01  0.187158D+01
      4  -0.700448D+01 -0.407446D+01  0.835019D+01 -0.529383D+01 -0.676266D+01
      5  -0.369769D+01 -0.370181D+01  0.131747D+02 -0.599595D+01 -0.117195D+02
      6   0.301678D+01  0.481958D+01 -0.578605D+01  0.576349D+01  0.550381D+01
                46            47            48            49            50 
      1   0.523692D+00 -0.961315D-01  0.229878D+00 -0.159703D+00 -0.429060D+01
      2  -0.321025D+01  0.198473D-01 -0.146149D+00  0.339613D+00  0.493562D+00
      3   0.268656D+01  0.762843D-01 -0.837286D-01 -0.179910D+00  0.379704D+01
      4  -0.227831D+00  0.223955D+01 -0.815741D+00  0.160203D+01 -0.350696D+00
      5   0.813608D+00 -0.962343D+00  0.791595D+01 -0.104871D+01  0.106665D+01
      6  -0.992005D+00 -0.731055D-01  0.273395D-01 -0.233821D-01 -0.275800D+01
                51            52            53            54            55 
      1   0.379629D+01 -0.478556D+00  0.344738D+01 -0.240910D+02  0.192822D+01
      2   0.374134D+00 -0.136757D+01  0.353302D+00 -0.142784D+02 -0.474180D+01
      3  -0.417042D+01  0.184613D+01 -0.380069D+01  0.383694D+02  0.281359D+01
      4   0.685693D+00 -0.340244D+00  0.494551D+00 -0.871810D+00  0.252911D+01
      5  -0.865425D+00  0.571558D+01 -0.717874D+00  0.404069D+01 -0.105134D+02
      6   0.753920D+01 -0.759815D+00  0.664891D+01 -0.608277D+01 -0.285719D+01
                56            57            58            59            60 
      1   0.219123D+01 -0.739121D+01  0.223857D+01 -0.149973D+02 -0.374457D+01
      2   0.322405D+00  0.302536D+01  0.262386D+00  0.225568D+01  0.167401D+00
      3  -0.251364D+01  0.436585D+01 -0.250095D+01  0.127416D+02  0.357717D+01
      4  -0.182782D+02 -0.462960D+01 -0.253071D+02  0.549115D+01 -0.739385D+01
      5  -0.446504D+01  0.155452D+01 -0.589577D+01 -0.692963D+01 -0.717027D+01
      6  -0.166947D+01 -0.765990D+00 -0.190224D+01 -0.320033D+01 -0.203344D+01
                61            62            63            64            65 
      1  -0.913367D+01 -0.449206D+01  0.637300D+01  0.596680D-01  0.429060D+00
      2   0.234570D+01 -0.480359D+00  0.212123D+01 -0.158905D+01 -0.446458D+00
      3   0.678797D+01  0.497242D+01 -0.849423D+01  0.152938D+01  0.173982D-01
      4  -0.599527D+01 -0.769319D+01 -0.770529D+01  0.113663D+00  0.286117D+01
      5  -0.120650D+01 -0.725920D+01  0.136119D+02 -0.128822D+01 -0.401400D+00
      6  -0.165827D+01 -0.137812D+01  0.227639D+01 -0.765660D+00  0.602774D+00
                66            67            68            69            70 
      1  -0.293753D+01  0.829486D+00 -0.728387D+00  0.215562D+01 -0.434834D+01
      2   0.132407D+01 -0.699398D+00  0.672612D+00 -0.936191D-01  0.396343D+01
      3   0.161346D+01 -0.130088D+00  0.557749D-01 -0.206200D+01  0.384913D+00
      4  -0.608334D+00  0.454286D+01  0.128415D+01 -0.245671D+01 -0.116661D+01
      5   0.459756D+01 -0.764545D+00 -0.214693D+01  0.398634D+01  0.726786D+01
      6   0.344118D+00 -0.351520D+00 -0.198387D+01  0.572408D+01  0.797339D+00
                71            72            73            74            75 
      1   0.250536D+01 -0.117234D+02  0.191840D+02 -0.100682D+02  0.125292D+01
      2  -0.153662D+00 -0.952381D+01 -0.639859D+01  0.269705D+01 -0.329111D+00
      3  -0.235170D+01  0.212472D+02 -0.127854D+02  0.737111D+01 -0.923812D+00
      4  -0.408991D+01  0.423274D+01 -0.141701D+02  0.161566D+02 -0.130194D+00
      5   0.366258D+01 -0.229553D+02  0.985140D+00  0.785091D-01  0.449471D+01
      6   0.516965D+01 -0.551970D+01  0.457648D+00 -0.181498D+00 -0.100222D+01
                76            77            78            79            80 
      1  -0.134152D+02  0.631194D+01 -0.137965D+00  0.256301D+01  0.544694D+00
      2   0.232255D+01  0.659083D+01 -0.289538D+00 -0.816575D+00 -0.475627D+00
      3   0.110926D+02 -0.129028D+02  0.427504D+00 -0.174643D+01 -0.690663D-01
      4   0.206069D+02 -0.243598D+02  0.189421D+01 -0.265913D+00  0.231466D+01
      5   0.537981D+00  0.156165D+01 -0.492124D+01  0.559140D+01 -0.369349D+01
      6  -0.622676D+00  0.930866D+00  0.361893D+01 -0.196805D+01  0.401197D+01
                81            82            83            84            85 
      1   0.636254D+00  0.182284D+02  0.796385D+01  0.506823D+01  0.108053D+02
      2  -0.909798D+00 -0.638108D+01 -0.172260D+01 -0.199050D+01 -0.171808D+01
      3   0.273544D+00 -0.118473D+02 -0.624126D+01 -0.307773D+01 -0.908723D+01
      4  -0.313877D+01  0.138992D+02  0.148114D+02  0.472666D+01  0.188274D+02
      5  -0.278767D+00  0.670885D+01  0.411878D+01  0.646149D+01  0.529096D+01
      6  -0.120574D+01  0.238870D+01  0.121790D+01  0.156794D+01  0.231913D+01
                86            87            88            89            90 
      1   0.458629D+01  0.151636D+01  0.758206D+01  0.120998D+01  0.894488D+00
      2   0.606558D+01  0.914082D+00 -0.369931D+01  0.661523D+00 -0.232813D+01
      3  -0.106519D+02 -0.243044D+01 -0.388276D+01 -0.187150D+01  0.143364D+01
      4   0.188718D+02  0.681412D+01  0.663773D+01  0.781984D+01  0.664503D+01
      5   0.611417D+01  0.761056D+01  0.826438D+01  0.653646D+01  0.700485D+01
      6   0.425576D+01  0.456412D+01  0.304972D+01  0.467847D+01  0.406904D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Jul 14 16:29:06 2021, MaxMem=  5637144576 cpu:             682.8 elap:              86.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.15322 -10.24694 -10.24015 -10.18983  -1.06945
 Alpha  occ. eigenvalues --   -0.74667  -0.65954  -0.59794  -0.51555  -0.47684
 Alpha  occ. eigenvalues --   -0.43473  -0.41162  -0.38446  -0.37523  -0.31231
 Alpha  occ. eigenvalues --   -0.27916
 Alpha virt. eigenvalues --    0.02208   0.04452   0.04766   0.05680   0.08596
 Alpha virt. eigenvalues --    0.08951   0.09906   0.10722   0.12791   0.13393
 Alpha virt. eigenvalues --    0.14865   0.15652   0.16371   0.18043   0.20046
 Alpha virt. eigenvalues --    0.21763   0.23983   0.25492   0.25970   0.27498
 Alpha virt. eigenvalues --    0.29148   0.29864   0.31466   0.31850   0.32322
 Alpha virt. eigenvalues --    0.32934   0.34489   0.35058   0.36872   0.37579
 Alpha virt. eigenvalues --    0.37872   0.40042   0.40748   0.42185   0.42783
 Alpha virt. eigenvalues --    0.44094   0.45728   0.46181   0.46641   0.48040
 Alpha virt. eigenvalues --    0.48399   0.49388   0.49852   0.52544   0.53307
 Alpha virt. eigenvalues --    0.54056   0.54709   0.58003   0.59242   0.65050
 Alpha virt. eigenvalues --    0.67564   0.68994   0.69760   0.72449   0.79924
 Alpha virt. eigenvalues --    0.83219   0.85033   0.87267   0.90020   0.93191
 Alpha virt. eigenvalues --    0.95637   0.99017   0.99541   1.00187   1.01583
 Alpha virt. eigenvalues --    1.07733   1.11907   1.13297   1.16140   1.20671
 Alpha virt. eigenvalues --    1.22959   1.28925   1.37672   1.48678   1.52066
 Alpha virt. eigenvalues --    1.54925   1.58272   1.61861   1.64446   1.67634
 Alpha virt. eigenvalues --    1.70748   1.75053   1.80156   1.82559   1.88073
 Alpha virt. eigenvalues --    1.92808   1.93185   1.96725   1.96899   2.01627
 Alpha virt. eigenvalues --    2.04404   2.10654   2.11996   2.16993   2.22326
 Alpha virt. eigenvalues --    2.25756   2.27122   2.35404   2.43565   2.44685
 Alpha virt. eigenvalues --    2.54299   2.58731   2.63437   2.78460   2.86974
 Alpha virt. eigenvalues --    2.91719   2.96479   2.98627   3.04657   3.06793
 Alpha virt. eigenvalues --    3.11099   3.13968   3.22286   3.46891   3.54606
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.106564   0.303638   0.220419   0.311657   0.299622  -0.005824
     2  C    0.303638   4.773402   0.017413  -0.057061   0.012863   0.215467
     3  O    0.220419   0.017413   8.518324  -0.005822  -0.019857  -0.059837
     4  H    0.311657  -0.057061  -0.005822   1.087486  -0.106838   0.043256
     5  H    0.299622   0.012863  -0.019857  -0.106838   1.097361  -0.075631
     6  H   -0.005824   0.215467  -0.059837   0.043256  -0.075631   1.383628
     7  C   -0.031925   0.421960  -0.024778  -0.052449   0.013039  -0.032933
     8  H   -0.054918   0.171617  -0.018972  -0.001518   0.003775   0.016493
     9  H    0.010846   0.110533  -0.005275   0.001644  -0.001759  -0.011874
    10  H    0.003650   0.039920   0.004450   0.005348   0.002270  -0.027232
               7          8          9         10
     1  C   -0.031925  -0.054918   0.010846   0.003650
     2  C    0.421960   0.171617   0.110533   0.039920
     3  O   -0.024778  -0.018972  -0.005275   0.004450
     4  H   -0.052449  -0.001518   0.001644   0.005348
     5  H    0.013039   0.003775  -0.001759   0.002270
     6  H   -0.032933   0.016493  -0.011874  -0.027232
     7  C    4.151728   0.270221   0.211231   0.264552
     8  H    0.270221   0.697694  -0.003228   0.028531
     9  H    0.211231  -0.003228   0.663599   0.029156
    10  H    0.264552   0.028531   0.029156   0.648538
 Mulliken charges:
               1
     1  C    0.836271
     2  C   -0.009751
     3  O   -0.626064
     4  H   -0.225702
     5  H   -0.224846
     6  H   -0.445512
     7  C    0.809354
     8  H   -0.109694
     9  H   -0.004873
    10  H    0.000817
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.385723
     2  C   -0.455263
     3  O   -0.626064
     7  C    0.695605
 Electronic spatial extent (au):  <R**2>=            267.8612
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.9001    Y=              1.7378    Z=              0.7019  Tot=              2.0791
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -24.7006   YY=            -26.7496   ZZ=            -24.5740
   XY=             -2.3944   XZ=             -0.3805   YZ=             -1.1416
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.6408   YY=             -1.4082   ZZ=              0.7674
   XY=             -2.3944   XZ=             -0.3805   YZ=             -1.1416
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             -3.9149  YYY=             -1.2958  ZZZ=             -0.0888  XYY=              0.8678
  XXY=              1.6077  XXZ=              0.8468  XZZ=             -1.1309  YZZ=             -0.0704
  YYZ=             -0.0781  XYZ=              0.4636
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -220.6611 YYYY=            -78.1078 ZZZZ=            -56.8035 XXXY=             -1.9690
 XXXZ=             -0.1153 YYYX=             -0.8369 YYYZ=             -0.4297 ZZZX=              0.0117
 ZZZY=             -1.9208 XXYY=            -49.0528 XXZZ=            -46.6329 YYZZ=            -22.8617
 XXYZ=              1.3115 YYXZ=              0.9566 ZZXY=              0.1051
 N-N= 1.248292288098D+02 E-N=-6.986922462584D+02  KE= 1.909749844499D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Jul 14 16:29:07 2021, MaxMem=  5637144576 cpu:               4.3 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 3.37216662D-01 6.51403454D-01 2.66668172D-01
 Polarizability= 4.48763905D+01-2.93312603D+00 3.57863909D+01
                 9.62235258D-01-1.23787392D+00 3.61062710D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.4115   -0.4115       -1.1984   -1.1984
 2      0.4115    0.4115        0.3245    0.3245       -4.2013   -4.2014
 3      1.1984    1.1984        4.3516    4.3517       -0.3246   -0.3245
 4     -0.3245   -0.3245       -0.0000    0.0000        1.1985    1.1984
 5     -0.1503   -0.1503       -1.1985   -1.1984       -0.4113   -0.4115
 6      0.3246    0.3245        0.4113    0.4115        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.2346    1.2346       -3.5952   -3.5952
 2     -0.9736   -0.9736        0.0000    0.0000       -3.5952   -3.5952
 3     -0.9736   -0.9736        1.2346    1.2346        0.0000    0.0000
 4      1.2346    1.2346        0.9736    0.9736      -12.6042  -12.6042
 5      3.5952    3.5952       13.0550   13.0550       -0.9736   -0.9736
 6     -0.4508   -0.4508       -3.5952   -3.5952       -1.2346   -1.2346
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0017    0.0000        1.6341    1.6461        4.7890    4.7936
 2     -1.6389   -1.6461       -1.2856   -1.2981       16.8146   16.8056
 3     -4.7910   -4.7936      -17.4083  -17.4067        1.3074    1.2981
 4      1.2895    1.2981       -0.0068    0.0000       -4.7951   -4.7936
 5      0.5873    0.6011        4.7887    4.7936        1.6475    1.6461
 6     -1.3058   -1.2981       -1.6535   -1.6461       -0.0031    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0059    0.0000       -2.6165   -2.6044        3.3985    3.3948
 2      2.5928    2.6044        0.8028    0.8005        0.1970    0.1974
 3     -3.3923   -3.3948       -4.9444   -4.9315       -0.7799   -0.8005
 4     -0.7878   -0.8005        0.0203    0.0000       -3.3876   -3.3948
 5      4.7406    4.7342        3.3949    3.3948       -2.6099   -2.6044
 6      0.7913    0.8005        2.5977    2.6044       -0.0066    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -4.4846   -4.4831       -3.4738   -3.4747        9.4117    9.4026
 2     -6.1923   -6.1962       -4.3859   -4.3967        9.4104    9.4026
 3     -6.1912   -6.1962       -3.4577   -3.4747       10.0391   10.0286
 4      0.9187    0.9219        1.7276    1.7131        1.9442    1.9344
 5      0.6287    0.6261       -7.0750   -7.0591       -1.7060   -1.7131
 6      5.1312    5.1247       -0.6106   -0.6261       -0.9323   -0.9219
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.2549   -2.6807    0.0012    0.0012    0.0012    1.3940
 Low frequencies ---  208.5603  368.3053  412.7048
 Diagonal vibrational polarizability:
        2.4450325       2.1399991       1.0898724
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    208.5603               368.3052               412.7048
 Red. masses --      1.0932                 2.3273                 2.4401
 Frc consts  --      0.0280                 0.1860                 0.2449
 IR Inten    --      0.4184                 3.6511                 4.5016
 RamAct Fr= 1--      0.0595                 0.8374                 0.9977
  Dep-P Fr= 1--      0.6689                 0.5528                 0.2104
  Dep-U Fr= 1--      0.8016                 0.7120                 0.3476
 Alpha2 Fr= 1--      0.0001                 0.0032                 0.0132
 Beta2  Fr= 1--      0.0080                 0.0994                 0.0578
 AlphaG Fr= 1--      0.0008                -0.0003                -0.0098
 Gamma2 Fr= 1--     -0.0007                -0.1554                -0.0674
 Delta2 Fr= 1--     -0.0068                -0.0414                 0.0145
 Raman1 Fr= 1--       0.238                  3.350                  3.991
 ROA1   Fr= 1--      -0.286                -16.249                 -6.007
 CID1   Fr= 1--      -1.202                 -4.851                 -1.505
 Raman2 Fr= 1--       0.095                  1.192                  0.694
 ROA2   Fr= 1--       0.037                 -3.399                 -1.734
 CID2   Fr= 1--       0.390                 -2.850                 -2.500
 Raman3 Fr= 1--       0.191                  2.385                  1.387
 ROA3   Fr= 1--      -0.286                -16.249                 -6.007
 CID3   Fr= 1--      -1.500                 -6.813                 -4.330
 RC180  Fr= 1--       0.603                  0.424                 -0.305
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.02  -0.04     0.18   0.03  -0.07     0.08   0.01  -0.03
     2   6    -0.00   0.05   0.00     0.00  -0.17   0.02    -0.04   0.01   0.20
     3   8     0.02  -0.02   0.04    -0.14  -0.05   0.07     0.16   0.02  -0.05
     4   1    -0.03  -0.06  -0.07     0.45  -0.09  -0.13     0.36   0.09   0.05
     5   1    -0.03  -0.00  -0.06     0.17   0.31  -0.21    -0.13  -0.06  -0.27
     6   1     0.00   0.10   0.01     0.01  -0.15   0.02    -0.09  -0.06   0.19
     7   6     0.00  -0.01  -0.00    -0.04   0.13  -0.01    -0.19  -0.03  -0.06
     8   1     0.04   0.53   0.10    -0.13   0.38   0.05    -0.60  -0.11  -0.04
     9   1    -0.26  -0.22  -0.46     0.23   0.27  -0.25    -0.22  -0.06  -0.23
    10   1     0.25  -0.40   0.36    -0.25   0.18   0.16     0.03  -0.02  -0.34
                      4                      5                      6
                      A                      A                      A
 Frequencies --    773.2803               846.2451               909.0682
 Red. masses --      3.6376                 3.1441                 1.2762
 Frc consts  --      1.2815                 1.3266                 0.6214
 IR Inten    --      7.6508                43.0417                 2.6520
 RamAct Fr= 1--      7.7485                 8.1352                 3.1434
  Dep-P Fr= 1--      0.5378                 0.6286                 0.6462
  Dep-U Fr= 1--      0.6994                 0.7720                 0.7851
 Alpha2 Fr= 1--      0.0317                 0.0180                 0.0059
 Beta2  Fr= 1--      0.9033                 1.0467                 0.4113
 AlphaG Fr= 1--      0.0226                -0.0092                 0.0068
 Gamma2 Fr= 1--      0.9599                -1.1732                -0.7736
 Delta2 Fr= 1--      0.4330                -0.0403                -0.6715
 Raman1 Fr= 1--      30.994                 32.541                 12.574
 ROA1   Fr= 1--     106.008               -113.916                -95.758
 CID1   Fr= 1--       3.420                 -3.501                 -7.616
 Raman2 Fr= 1--      10.839                 12.560                  4.936
 ROA2   Fr= 1--      19.575                -27.834                -13.196
 CID2   Fr= 1--       1.806                 -2.216                 -2.674
 Raman3 Fr= 1--      21.678                 25.121                  9.871
 ROA3   Fr= 1--     106.008               -113.916                -95.758
 CID3   Fr= 1--       4.890                 -4.535                 -9.701
 RC180  Fr= 1--       0.399                  0.544                  0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.22   0.05     0.20  -0.08   0.06    -0.01   0.05   0.07
     2   6    -0.09  -0.09  -0.22     0.04   0.22   0.00    -0.05   0.03  -0.02
     3   8     0.20  -0.10   0.06    -0.12  -0.16  -0.13    -0.01  -0.08   0.01
     4   1    -0.25   0.06  -0.07     0.03   0.04   0.13     0.51   0.11   0.16
     5   1     0.26   0.09   0.31     0.54   0.11   0.42    -0.34   0.02  -0.36
     6   1     0.04   0.23  -0.13    -0.04   0.33   0.01     0.20  -0.23  -0.08
     7   6    -0.21  -0.04   0.02    -0.10   0.05   0.05     0.01   0.06  -0.05
     8   1     0.16   0.05   0.01    -0.07  -0.08   0.02     0.37  -0.10  -0.12
     9   1    -0.18   0.01   0.22    -0.38  -0.10   0.16    -0.28  -0.09   0.25
    10   1    -0.49  -0.04   0.35     0.15  -0.07  -0.05     0.15  -0.10   0.04
                      7                      8                      9
                      A                      A                      A
 Frequencies --    975.4215              1043.2588              1130.8804
 Red. masses --      2.4011                 1.1810                 1.4750
 Frc consts  --      1.3460                 0.7573                 1.1114
 IR Inten    --     15.5528                 8.6648                 6.7644
 RamAct Fr= 1--      5.6383                 1.2532                 1.6097
  Dep-P Fr= 1--      0.1552                 0.3631                 0.4362
  Dep-U Fr= 1--      0.2687                 0.5328                 0.6074
 Alpha2 Fr= 1--      0.0860                 0.0105                 0.0104
 Beta2  Fr= 1--      0.2525                 0.1113                 0.1630
 AlphaG Fr= 1--      0.0224                 0.0245                -0.0178
 Gamma2 Fr= 1--      0.2746                 0.3413                -0.0635
 Delta2 Fr= 1--      0.0297                 0.2715                -0.1524
 Raman1 Fr= 1--      22.553                  5.013                  6.439
 ROA1   Fr= 1--      27.311                 41.457                -10.973
 CID1   Fr= 1--       1.211                  8.270                 -1.704
 Raman2 Fr= 1--       3.030                  1.335                  1.955
 ROA2   Fr= 1--       6.352                  6.020                 -0.305
 CID2   Fr= 1--       2.097                  4.508                 -0.156
 Raman3 Fr= 1--       6.059                  2.671                  3.911
 ROA3   Fr= 1--      27.311                 41.457                -10.973
 CID3   Fr= 1--       4.507                 15.523                 -2.806
 RC180  Fr= 1--      -0.463                  0.066                  0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.04     0.01   0.01   0.00    -0.06   0.01   0.10
     2   6    -0.13  -0.04   0.01    -0.03   0.04   0.04    -0.00   0.10   0.03
     3   8     0.01  -0.16  -0.02    -0.02  -0.03  -0.02     0.03  -0.04  -0.06
     4   1    -0.15   0.07  -0.04     0.16   0.37   0.26     0.16  -0.47  -0.19
     5   1    -0.03   0.11   0.06    -0.15  -0.31  -0.07    -0.02   0.62  -0.09
     6   1    -0.43   0.14   0.06    -0.03   0.54   0.14     0.02  -0.14  -0.02
     7   6     0.17   0.04   0.03     0.03  -0.08  -0.06     0.01  -0.09  -0.02
     8   1    -0.34  -0.07   0.04     0.14   0.17  -0.01    -0.01   0.18   0.04
     9   1     0.15  -0.02  -0.34     0.35   0.12  -0.07     0.32   0.10  -0.07
    10   1     0.46   0.07  -0.39    -0.32   0.05   0.16    -0.31   0.07   0.10
                     10                     11                     12
                      A                      A                      A
 Frequencies --   1158.5581              1167.6529              1190.1083
 Red. masses --      1.3981                 1.5867                 1.5879
 Frc consts  --      1.1056                 1.2746                 1.3251
 IR Inten    --      1.7277                 3.6287                 0.6942
 RamAct Fr= 1--      2.5149                 1.7257                 3.1944
  Dep-P Fr= 1--      0.6329                 0.5342                 0.1513
  Dep-U Fr= 1--      0.7752                 0.6964                 0.2628
 Alpha2 Fr= 1--      0.0053                 0.0072                 0.0492
 Beta2  Fr= 1--      0.3249                 0.2003                 0.1399
 AlphaG Fr= 1--      0.0011                -0.0062                 0.0219
 Gamma2 Fr= 1--      0.4902                 0.1507                -0.8969
 Delta2 Fr= 1--      0.0543                 0.0949                -0.4116
 Raman1 Fr= 1--      10.060                  6.903                 12.778
 ROA1   Fr= 1--      48.799                 17.506                -99.275
 CID1   Fr= 1--       4.851                  2.536                 -7.769
 Raman2 Fr= 1--       3.899                  2.403                  1.679
 ROA2   Fr= 1--      11.330                  2.859                -18.233
 CID2   Fr= 1--       2.906                  1.189                -10.860
 Raman3 Fr= 1--       7.798                  4.807                  3.358
 ROA3   Fr= 1--      48.799                 17.506                -99.275
 CID3   Fr= 1--       6.258                  3.642                -29.566
 RC180  Fr= 1--       0.550                  0.393                 -0.474
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.09  -0.04    -0.05  -0.01  -0.05    -0.01  -0.05   0.11
     2   6    -0.08  -0.05   0.00     0.05   0.10  -0.12     0.06  -0.07  -0.14
     3   8     0.05   0.04   0.02     0.00  -0.03   0.06    -0.01   0.05  -0.02
     4   1     0.45   0.20   0.22     0.32   0.46   0.29     0.32  -0.28  -0.01
     5   1     0.41   0.47   0.37     0.02  -0.02   0.04    -0.27   0.06  -0.26
     6   1    -0.25   0.19   0.05     0.08  -0.42  -0.24    -0.02   0.68   0.01
     7   6     0.02   0.03  -0.04    -0.01  -0.06   0.10    -0.01   0.02   0.08
     8   1     0.17  -0.04  -0.07    -0.44   0.05   0.16    -0.31  -0.11   0.08
     9   1    -0.04  -0.01   0.02     0.13   0.00  -0.20    -0.12  -0.07  -0.11
    10   1     0.11  -0.04  -0.02    -0.10   0.13  -0.11     0.10   0.03  -0.10
                     13                     14                     15
                      A                      A                      A
 Frequencies --   1295.6811              1407.4016              1441.0215
 Red. masses --      1.5711                 1.2498                 1.6122
 Frc consts  --      1.5540                 1.4586                 1.9724
 IR Inten    --      5.4334                 3.4464                21.3968
 RamAct Fr= 1--     20.8287                 1.1997                 8.7183
  Dep-P Fr= 1--      0.2205                 0.4970                 0.2970
  Dep-U Fr= 1--      0.3613                 0.6640                 0.4580
 Alpha2 Fr= 1--      0.2677                 0.0060                 0.0902
 Beta2  Fr= 1--      1.2544                 0.1328                 0.6655
 AlphaG Fr= 1--     -0.0315                 0.0029                -0.0415
 Gamma2 Fr= 1--      0.5786                 0.1329                -0.7884
 Delta2 Fr= 1--      0.0311                 0.0843                -0.2506
 Raman1 Fr= 1--      83.315                  4.799                 34.873
 ROA1   Fr= 1--      56.542                 15.458                -83.701
 CID1   Fr= 1--       0.679                  3.221                 -2.400
 Raman2 Fr= 1--      15.052                  1.593                  7.986
 ROA2   Fr= 1--      13.637                  2.516                -16.916
 CID2   Fr= 1--       0.906                  1.580                 -2.118
 Raman3 Fr= 1--      30.104                  3.186                 15.972
 ROA3   Fr= 1--      56.542                 15.458                -83.701
 CID3   Fr= 1--       1.878                  4.852                 -5.240
 RC180  Fr= 1--      -0.277                  0.328                 -0.084
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.07  -0.07     0.02  -0.01   0.01    -0.04   0.03   0.00
     2   6     0.09  -0.07   0.07    -0.07   0.01  -0.02     0.19  -0.02   0.00
     3   8    -0.01  -0.06  -0.05     0.00   0.02   0.00    -0.01  -0.04   0.00
     4   1    -0.09   0.22   0.02     0.08  -0.12  -0.05    -0.15   0.22   0.10
     5   1     0.05   0.32   0.06     0.04  -0.14   0.07    -0.15   0.24  -0.19
     6   1     0.82   0.26   0.16     0.31   0.01  -0.02    -0.61  -0.01  -0.01
     7   6    -0.02   0.02   0.03    -0.10  -0.03   0.07    -0.12   0.01  -0.01
     8   1    -0.09  -0.08   0.02     0.48   0.08   0.03     0.21  -0.02  -0.04
     9   1    -0.05  -0.01   0.02     0.37   0.21  -0.29     0.27   0.25   0.11
    10   1     0.07  -0.04   0.03     0.37  -0.03  -0.44     0.31  -0.29   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --   1483.2160              1496.8023              1532.1776
 Red. masses --      1.0508                 1.0594                 1.3754
 Frc consts  --      1.3620                 1.3984                 1.9024
 IR Inten    --      5.4887                 6.3102                 5.7259
 RamAct Fr= 1--      3.6810                 4.9580                 2.9126
  Dep-P Fr= 1--      0.7479                 0.7044                 0.3984
  Dep-U Fr= 1--      0.8558                 0.8265                 0.5698
 Alpha2 Fr= 1--      0.0001                 0.0039                 0.0217
 Beta2  Fr= 1--      0.5250                 0.6830                 0.2766
 AlphaG Fr= 1--      0.0018                -0.0092                -0.0099
 Gamma2 Fr= 1--     -0.3048                 1.6208                -0.5411
 Delta2 Fr= 1--     -0.0793                 0.5329                -0.0882
 Raman1 Fr= 1--      14.724                 19.832                 11.650
 ROA1   Fr= 1--     -31.803                172.655                -54.767
 CID1   Fr= 1--      -2.160                  8.706                 -4.701
 Raman2 Fr= 1--       6.300                  8.196                  3.319
 ROA2   Fr= 1--      -6.682                 34.637                -12.281
 CID2   Fr= 1--      -1.061                  4.226                 -3.700
 Raman3 Fr= 1--      12.601                 16.392                  6.639
 ROA3   Fr= 1--     -31.803                172.655                -54.767
 CID3   Fr= 1--      -2.524                 10.533                 -8.250
 RC180  Fr= 1--       0.712                  0.653                  0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.09   0.10  -0.03
     2   6     0.03  -0.03   0.01    -0.04   0.00  -0.02     0.10  -0.01   0.03
     3   8     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.02  -0.02  -0.01
     4   1    -0.10   0.09   0.05     0.12  -0.09  -0.05     0.53  -0.34  -0.24
     5   1    -0.03   0.11  -0.08     0.04  -0.12   0.09     0.10  -0.49   0.43
     6   1    -0.07   0.04   0.02     0.14   0.01  -0.02    -0.18  -0.01   0.03
     7   6     0.01  -0.05   0.00     0.00  -0.02  -0.04    -0.02  -0.00  -0.00
     8   1     0.14   0.62   0.13    -0.42   0.30   0.08     0.10   0.05  -0.00
     9   1    -0.28  -0.17   0.29     0.25   0.21   0.58    -0.11  -0.06   0.00
    10   1    -0.05   0.30  -0.49     0.34  -0.30   0.07    -0.08   0.07  -0.05
                     19                     20                     21
                      A                      A                      A
 Frequencies --   3032.9805              3083.5766              3090.9648
 Red. masses --      1.0353                 1.0500                 1.1007
 Frc consts  --      5.6113                 5.8826                 6.1961
 IR Inten    --     17.9721                27.9875                18.6482
 RamAct Fr= 1--    187.9167               110.2772                79.7727
  Dep-P Fr= 1--      0.0126                 0.0948                 0.6996
  Dep-U Fr= 1--      0.0249                 0.1732                 0.8233
 Alpha2 Fr= 1--      4.0548                 1.9555                 0.0701
 Beta2  Fr= 1--      0.7784                 3.1829                10.9457
 AlphaG Fr= 1--     -0.1458                 0.2652                 0.1494
 Gamma2 Fr= 1--     -0.2303                 6.9536                 1.3017
 Delta2 Fr= 1--      0.1068                 0.7498                 2.0876
 Raman1 Fr= 1--     751.667                441.109                319.091
 ROA1   Fr= 1--     -18.692                691.535                191.769
 CID1   Fr= 1--      -0.025                  1.568                  0.601
 Raman2 Fr= 1--       9.341                 38.195                131.349
 ROA2   Fr= 1--      -6.382                160.887                 14.540
 CID2   Fr= 1--      -0.683                  4.212                  0.111
 Raman3 Fr= 1--      18.682                 76.390                262.697
 ROA3   Fr= 1--     -18.692                691.535                191.769
 CID3   Fr= 1--      -1.001                  9.053                  0.730
 RC180  Fr= 1--      -0.950                 -0.654                  0.647
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.04   0.04  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.01    -0.00  -0.00   0.01
     3   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   1     0.00   0.01  -0.01    -0.07  -0.38   0.60    -0.00  -0.00   0.00
     5   1    -0.00   0.00   0.00     0.51  -0.15  -0.42    -0.00   0.00   0.00
     6   1     0.00  -0.01   0.03     0.00  -0.03   0.15     0.00   0.02  -0.11
     7   6     0.05   0.01  -0.01     0.00  -0.00   0.01    -0.00  -0.09  -0.03
     8   1     0.05  -0.10   0.48    -0.01   0.01  -0.06     0.01  -0.04   0.09
     9   1    -0.29   0.50  -0.06    -0.02   0.04  -0.00    -0.37   0.58  -0.08
    10   1    -0.33  -0.47  -0.28    -0.01  -0.01  -0.01     0.37   0.51   0.31
                     22                     23                     24
                      A                      A                      A
 Frequencies --   3091.8404              3114.6657              3167.3052
 Red. masses --      1.0901                 1.0998                 1.1202
 Frc consts  --      6.1397                 6.2862                 6.6211
 IR Inten    --     10.5636                37.0962                29.6776
 RamAct Fr= 1--    188.8654                27.3212                74.6319
  Dep-P Fr= 1--      0.3101                 0.2004                 0.6842
  Dep-U Fr= 1--      0.4733                 0.3339                 0.8125
 Alpha2 Fr= 1--      1.8793                 0.3707                 0.0864
 Beta2  Fr= 1--     14.8998                 1.5203                10.1063
 AlphaG Fr= 1--     -0.3860                -0.1927                 0.1622
 Gamma2 Fr= 1--    -14.0479                 2.6883                 3.4642
 Delta2 Fr= 1--     -9.7873                 2.5109                 2.6708
 Raman1 Fr= 1--     755.462                109.285                298.528
 ROA1   Fr= 1--   -1661.792                338.432                418.025
 CID1   Fr= 1--      -2.200                  3.097                  1.400
 Raman2 Fr= 1--     178.797                 18.243                121.275
 ROA2   Fr= 1--    -258.851                 44.433                 61.774
 CID2   Fr= 1--      -1.448                  2.436                  0.509
 Raman3 Fr= 1--     357.595                 36.486                242.551
 ROA3   Fr= 1--   -1661.792                338.432                418.025
 CID3   Fr= 1--      -4.647                  9.276                  1.723
 RC180  Fr= 1--      -0.053                 -0.332                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.01    -0.00  -0.00   0.01     0.05   0.02  -0.08
     2   6     0.00   0.02  -0.07    -0.00   0.01  -0.04     0.00   0.00  -0.01
     3   8    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     4   1     0.02   0.09  -0.14     0.01   0.03  -0.05    -0.05  -0.36   0.56
     5   1    -0.06   0.01   0.04     0.04  -0.01  -0.03    -0.56   0.17   0.43
     6   1    -0.01  -0.17   0.82    -0.01  -0.10   0.48     0.00  -0.03   0.10
     7   6     0.01  -0.02   0.04    -0.03   0.02  -0.07    -0.00   0.00  -0.00
     8   1    -0.04   0.09  -0.42     0.06  -0.15   0.73     0.00  -0.01   0.03
     9   1    -0.12   0.21  -0.02     0.16  -0.28   0.02     0.00  -0.01   0.00
    10   1    -0.02  -0.05  -0.02     0.15   0.22   0.12     0.01   0.01   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  1 and mass   1.00783
 Atom     6 has atomic number  1 and mass   1.00783
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Molecular mass:    58.04186 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --    99.06019 270.16776 303.22575
           X            0.99884  -0.04603  -0.01409
           Y            0.04415   0.99263  -0.11282
           Z            0.01918   0.11207   0.99352
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Rotational temperatures (Kelvin)      0.87436     0.32059     0.28564
 Rotational constants (GHZ):          18.21863     6.68008     5.95181
 Zero-point vibrational energy     223831.3 (Joules/Mol)
                                   53.49697 (Kcal/Mol)
 Warning -- explicit consideration of   3 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    300.07   529.91   593.79  1112.58  1217.56
          (Kelvin)           1307.95  1403.41  1501.02  1627.08  1666.91
                             1679.99  1712.30  1864.20  2024.94  2073.31
                             2134.02  2153.56  2204.46  4363.78  4436.58
                             4447.21  4448.47  4481.31  4557.05
 
 Zero-point correction=                           0.085253 (Hartree/Particle)
 Thermal correction to Energy=                    0.089666
 Thermal correction to Enthalpy=                  0.090610
 Thermal correction to Gibbs Free Energy=         0.058882
 Sum of electronic and zero-point Energies=           -193.114009
 Sum of electronic and thermal Energies=              -193.109597
 Sum of electronic and thermal Enthalpies=            -193.108652
 Sum of electronic and thermal Free Energies=         -193.140380
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   56.266             14.762             66.776
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             38.096
 Rotational               0.889              2.981             23.610
 Vibrational             54.489              8.801              5.069
 Vibration     1          0.642              1.828              2.056
 Vibration     2          0.741              1.537              1.087
 Vibration     3          0.776              1.443              0.917
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.824081D-27        -27.084030        -62.363284
 Total V=0       0.134749D+13         12.129526         27.929265
 Vib (Bot)       0.147031D-38        -38.832591        -89.415345
 Vib (Bot)    1  0.952867D+00         -0.020968         -0.048280
 Vib (Bot)    2  0.494886D+00         -0.305495         -0.703428
 Vib (Bot)    3  0.427820D+00         -0.368739         -0.849053
 Vib (V=0)       0.240417D+01          0.380965          0.877204
 Vib (V=0)    1  0.157608D+01          0.197579          0.454943
 Vib (V=0)    2  0.120350D+01          0.080446          0.185234
 Vib (V=0)    3  0.115805D+01          0.063727          0.146737
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.173806D+08          7.240066         16.670868
 Rotational      0.322474D+05          4.508495         10.381193
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     33333 3                                                           111 11    1  1111   1                                         
     11000 0                                                           544 44    2  1111   0 9  9  8 7              4 3     2        
     61998 3                                                           398 40    9  9653   4 7  0  4 7              1 6     0        
     75214 3                                                           273 17    6  0891   3 5  9  6 3              3 8     9        
 
     XXXXX X                                                           XXX XX    X  XXXX   X X  X  X X              X X     X        
     XXXXX X                                                           XXX XX    X   X X   X X     X X              X X              
     XXXXX X                                                           XXX X     X     X   X X     X X                               
     XXXXX X                                                               X               X X     X X                               
     XXXXX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                 X     X                                 
     XX XX X                                                               X                       X                                 
     XX XX                                                                 X                       X                                 
     XX  X                                                                 X                       X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX  X                                                                                         X                                 
     XX                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
      X                                                                                            X                                 
                                                                                                   X                                 
                                                                                                   X                                 
                                                                                                   X                                 
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001753   -0.000000545    0.000000103
      2        6          -0.000002096   -0.000001456    0.000003468
      3        8          -0.000000351   -0.000000432    0.000000897
      4        1           0.000003247    0.000000589   -0.000003758
      5        1          -0.000001297    0.000000211    0.000001116
      6        1           0.000000049    0.000000068    0.000000469
      7        6           0.000002878   -0.000001473   -0.000003016
      8        1          -0.000003004    0.000001178    0.000001581
      9        1           0.000000402    0.000000237   -0.000000877
     10        1          -0.000001580    0.000001623    0.000000018
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000003758 RMS     0.000001730
 Force constants in Cartesian coordinates: 
                1             2             3             4             5 
      1  0.522567D+00
      2 -0.157126D+00  0.439494D+00
      3 -0.108173D+00 -0.135505D+00  0.549398D+00
      4 -0.205289D+00  0.124831D+00 -0.607234D-01  0.592733D+00
      5  0.765727D-01 -0.498009D-01  0.516438D-01 -0.382914D-01  0.279221D+00
      6 -0.696786D-01  0.772233D-01 -0.862307D-01  0.336646D-01 -0.895262D-01
      7 -0.324195D-01 -0.100829D-02  0.168730D-01 -0.113853D+00 -0.483605D-01
      8  0.388367D-01 -0.217794D+00 -0.121355D-01 -0.866648D-01 -0.844057D-01
      9  0.258899D-01 -0.330541D-01 -0.546621D-01 -0.536510D-01 -0.378219D-01
     10 -0.535078D-01 -0.938752D-02  0.293756D-01  0.434096D-02  0.147296D-01
     11 -0.124654D-01 -0.112845D+00  0.118141D+00  0.127956D-03 -0.498189D-02
     12  0.275079D-01  0.123557D+00 -0.249626D+00  0.460161D-02  0.600940D-02
     13 -0.209076D+00  0.453904D-01  0.131543D+00 -0.135676D-01  0.288948D-02
     14  0.388132D-01 -0.541025D-01 -0.275256D-01 -0.126420D-02 -0.746937D-02
     15  0.131152D+00 -0.267949D-01 -0.156183D+00 -0.133386D-01  0.200689D-02
     16 -0.273725D-02  0.135840D-02 -0.197146D-01 -0.502986D-01 -0.204812D-02
     17 -0.415486D-02 -0.680000D-02  0.236040D-01  0.263555D-02 -0.577838D-01
     18 -0.745279D-03 -0.278877D-02 -0.323732D-02  0.118235D-01  0.603984D-01
     19 -0.188137D-01 -0.409320D-02  0.521320D-02 -0.181885D+00 -0.503361D-02
     20  0.227294D-01 -0.179650D-03 -0.171867D-01  0.171299D-02 -0.743107D-01
     21 -0.497664D-02 -0.265159D-02  0.172865D-02  0.647057D-01  0.805986D-02
     22  0.164073D-02  0.311829D-03  0.168179D-02  0.985356D-03 -0.636406D-02
     23  0.134417D-03  0.113671D-02 -0.851464D-03 -0.434617D-03 -0.201197D-02
     24 -0.103326D-02 -0.134984D-03  0.279418D-03 -0.165294D-02  0.243364D-02
     25 -0.344474D-02  0.572262D-03  0.529160D-02 -0.202283D-01  0.278409D-01
     26 -0.234901D-02  0.753746D-03 -0.374498D-03 -0.227063D-02  0.394280D-02
     27  0.944319D-03  0.399617D-03 -0.172869D-02  0.885914D-02 -0.143811D-01
     28  0.108053D-02 -0.849717D-03 -0.136733D-02 -0.129380D-01 -0.219349D-01
     29 -0.991628D-03  0.137592D-03  0.189888D-03 -0.382177D-03 -0.239906D-02
     30 -0.887061D-03 -0.250263D-03  0.262561D-03  0.571143D-02  0.111773D-01
                6             7             8             9            10 
      6  0.620284D+00
      7 -0.412045D-01  0.171671D+00
      8 -0.579937D-01  0.488325D-01  0.340333D+00
      9 -0.105293D+00  0.543535D-01  0.831523D-01  0.145693D+00
     10 -0.236221D-01 -0.314058D-03 -0.140659D-02  0.244505D-02  0.493774D-01
     11 -0.502454D-02  0.566348D-02 -0.275027D-01  0.256987D-01  0.633000D-02
     12 -0.121556D-01 -0.382412D-02 -0.485119D-02  0.158442D-01 -0.274379D-01
     13  0.185601D-01  0.657210D-02  0.523700D-02 -0.772865D-02  0.279189D-03
     14  0.175703D-02  0.307806D-01 -0.165903D-01 -0.174354D-01 -0.118415D-01
     15  0.120492D-01  0.510287D-02 -0.668230D-02 -0.739214D-03  0.186465D-01
     16  0.123893D-01 -0.675517D-02  0.288887D-02 -0.207564D-01 -0.158989D-02
     17  0.643553D-01 -0.519627D-02  0.587008D-02 -0.310666D-01  0.309743D-02
     18 -0.301865D+00 -0.124503D-01 -0.177007D-02 -0.132831D-01  0.450162D-03
     19  0.582050D-01 -0.236860D-01 -0.561593D-02 -0.136371D-02  0.150210D-02
     20  0.869755D-02 -0.342129D-01 -0.209315D-02  0.893042D-02 -0.134591D-02
     21 -0.118070D+00 -0.206588D-01 -0.231672D-02  0.884985D-02 -0.971823D-03
     22  0.331769D-01  0.294810D-02 -0.443335D-05 -0.176061D-02 -0.236067D-03
     23  0.262741D-02  0.597754D-03 -0.580863D-03  0.252871D-03  0.381633D-04
     24 -0.172650D-01 -0.471823D-03  0.223944D-03  0.247839D-02  0.749255D-03
     25 -0.469240D-02  0.332653D-02 -0.170325D-02 -0.955700D-03  0.411765D-03
     26 -0.966769D-03  0.211847D-02  0.129630D-02  0.507584D-03 -0.164323D-03
     27  0.183683D-02 -0.123467D-02  0.126764D-02  0.595382D-03  0.323041D-03
     28 -0.167983D-01 -0.748996D-02 -0.400084D-03  0.352766D-02 -0.263538D-03
     29 -0.114940D-02  0.785134D-03  0.146759D-02  0.836133D-03 -0.492901D-04
     30  0.670902D-02  0.351484D-02  0.110557D-02  0.516082D-03  0.422028D-04
               11            12            13            14            15 
     11  0.136927D+00
     12 -0.133919D+00  0.254914D+00
     13  0.495808D-03 -0.814634D-03  0.216528D+00
     14  0.712167D-02  0.869025D-02 -0.564753D-01  0.690496D-01
     15 -0.506683D-02 -0.113866D-01 -0.140335D+00  0.350583D-01  0.156294D+00
     16 -0.984815D-03 -0.747039D-03  0.929420D-03  0.886456D-03  0.410794D-03
     17  0.123473D-02  0.172391D-02 -0.826827D-03  0.348063D-03 -0.135112D-02
     18 -0.178809D-03  0.869703D-03 -0.471049D-03 -0.108204D-03  0.494254D-04
     19  0.201972D-03  0.111314D-02 -0.578771D-03 -0.679252D-03 -0.507797D-03
     20  0.159607D-03 -0.991024D-03  0.364351D-02  0.144052D-02  0.290643D-02
     21  0.922941D-03  0.688529D-03 -0.995543D-03  0.906235D-04 -0.759928D-03
     22  0.324974D-03 -0.504243D-03  0.165126D-03  0.145415D-03 -0.171597D-03
     23 -0.159620D-03 -0.148197D-03  0.338510D-04 -0.626311D-04  0.645385D-04
     24 -0.147628D-03  0.602047D-03 -0.148464D-03 -0.306311D-03  0.220988D-03
     25  0.274760D-04  0.194240D-03 -0.124519D-02 -0.580720D-03 -0.107130D-02
     26 -0.126657D-04 -0.982714D-04 -0.220168D-03  0.158106D-03 -0.517973D-04
     27 -0.169722D-03  0.260881D-03  0.378556D-03 -0.155993D-03  0.539021D-03
     28  0.278539D-03 -0.890155D-04 -0.607185D-05  0.215323D-03  0.112600D-03
     29  0.594475D-04  0.275982D-04 -0.167784D-03  0.106842D-03 -0.891889D-04
     30 -0.255962D-03 -0.106093D-04  0.117387D-04 -0.647009D-04 -0.837720D-04
               16            17            18            19            20 
     16  0.622571D-01
     17  0.373646D-02  0.542254D-01
     18 -0.112509D-02 -0.595022D-01  0.326445D+00
     19  0.169861D-02  0.166711D-02 -0.473351D-03  0.500119D+00
     20 -0.572941D-02  0.167721D-02  0.395190D-02 -0.766714D-02  0.554605D+00
     21  0.285766D-01  0.254975D-02 -0.970476D-02  0.329686D-01  0.268549D-03
     22 -0.533181D-02 -0.665199D-03  0.203307D-02 -0.500388D-01  0.593927D-02
     23 -0.440719D-03  0.900727D-03  0.897395D-04  0.587850D-02 -0.577923D-01
     24  0.261602D-02  0.138230D-03  0.554833D-03 -0.237798D-01  0.533873D-01
     25  0.902041D-03 -0.686461D-03  0.863378D-04 -0.113447D+00  0.112982D+00
     26  0.552699D-03  0.216284D-03 -0.513585D-03  0.114135D+00 -0.236827D+00
     27 -0.661125D-03 -0.194128D-03  0.263920D-03 -0.135523D-01  0.242170D-01
     28  0.925528D-03  0.393074D-03  0.871912D-03 -0.114870D+00 -0.980522D-01
     29 -0.219813D-03  0.111342D-03  0.421617D-03 -0.987935D-01 -0.186679D+00
     30 -0.988530D-03 -0.257173D-03 -0.925115D-04 -0.578230D-01 -0.841814D-01
               21            22            23            24            25 
     21  0.563747D+00
     22 -0.278030D-01  0.536781D-01
     23  0.531706D-01 -0.668060D-02  0.576919D-01
     24 -0.297257D+00  0.250954D-01 -0.588635D-01  0.323990D+00
     25 -0.138377D-01 -0.190441D-02  0.198673D-02 -0.439693D-03  0.126032D+00
     26  0.239484D-01  0.207073D-02 -0.500511D-02  0.558536D-03 -0.125785D+00
     27 -0.510743D-01 -0.159971D-01  0.273112D-01 -0.187242D-02  0.128245D-01
     28 -0.570074D-01 -0.190639D-02 -0.111348D-02 -0.934626D-03  0.959803D-02
     29 -0.840423D-01  0.492208D-02  0.588316D-02  0.271078D-02 -0.146543D-01
     30 -0.981485D-01 -0.157506D-01 -0.236531D-01 -0.117314D-01  0.260013D-02
               26            27            28            29            30 
     26  0.255462D+00
     27 -0.260045D-01  0.502147D-01
     28  0.119121D-01  0.811556D-02  0.125870D+00
     29 -0.199837D-01 -0.122900D-01  0.109551D+00  0.201296D+00
     30  0.299490D-02  0.964718D-03  0.635689D-01  0.933849D-01  0.101614D+00
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.471671D+02 -0.239680D+01  0.823064D+00
      2  -0.239680D+01  0.387643D+02 -0.649056D+00
      3   0.823064D+00 -0.649056D+00  0.384637D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.867597D+00  0.731016D+00 -0.609762D+01
      2  -0.412586D+01  0.768914D+00  0.706983D+01
      3   0.349321D+01 -0.626931D+01 -0.159817D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.236425D+02 -0.637884D-02  0.287614D+01
      2  -0.140628D+02  0.440942D+01 -0.715250D+01
      3  -0.957971D+01 -0.440304D+01  0.427636D+01
      4   0.168661D+02  0.695194D+01 -0.119788D+01
      5   0.483247D+01  0.301039D+00  0.131481D+02
      6  -0.172961D+01 -0.457008D+01  0.133914D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.380497D+01  0.118892D+01 -0.414687D+01 -0.180185D+00 -0.949520D+00
      2   0.118892D+01 -0.208893D+00  0.197060D+01 -0.949520D+00  0.507036D+01
      3  -0.414687D+01  0.197060D+01  0.556518D-02  0.907890D+00  0.223302D+01
                 6             7             8             9            10 
      1   0.907890D+00 -0.621031D+01  0.208844D+01  0.419426D+00  0.693467D+01
      2   0.223302D+01  0.208844D+01  0.247872D+01 -0.251127D+01 -0.109316D+01
      3  -0.242314D+01  0.419426D+00 -0.251127D+01  0.159157D+01  0.311586D+01
                11            12            13            14            15 
      1  -0.109316D+01  0.311586D+01 -0.121838D+01  0.460419D+01  0.469807D+00
      2   0.233580D+01  0.834835D-01  0.460419D+01 -0.364911D-01  0.137502D+01
      3   0.834835D-01 -0.872294D-01  0.469807D+00  0.137502D+01  0.140773D+01
                16            17            18            19            20 
      1   0.434760D+01  0.798665D+00  0.769368D+00 -0.405969D+01 -0.372915D+01
      2   0.798665D+00  0.885958D+00  0.169437D+01 -0.372915D+01 -0.853156D+00
      3   0.769368D+00  0.169437D+01 -0.764754D+01 -0.128643D+01 -0.280369D+00
                21            22            23            24            25 
      1  -0.128643D+01 -0.198176D+01 -0.279529D+01 -0.673882D+00 -0.188175D+01
      2  -0.280369D+00 -0.279529D+01 -0.909335D+01 -0.183092D+01 -0.129208D+01
      3   0.233947D+00 -0.673882D+00 -0.183092D+01 -0.577899D+00 -0.136305D+01
                26            27            28            29            30 
      1  -0.129208D+01 -0.136305D+01 -0.201696D+00  0.946374D+00 -0.346181D+00
      2  -0.149218D+01 -0.231968D+01  0.946374D+00 -0.218918D-01 -0.443572D+00
      3  -0.231968D+01 -0.144346D+01 -0.346181D+00 -0.443572D+00  0.217629D+00
                31            32            33            34            35 
      1   0.124056D+01 -0.742691D+00  0.329345D+00 -0.976439D+00  0.295915D+00
      2  -0.742691D+00  0.336358D+01 -0.280830D+01  0.295915D+00 -0.327507D+01
      3   0.329345D+00 -0.280830D+01  0.261692D+01 -0.731603D+00  0.317733D+01
                36            37            38            39            40 
      1  -0.731603D+00 -0.662348D+01  0.228194D+01  0.278819D+01  0.191677D+01
      2   0.317733D+01  0.228194D+01 -0.190905D+01 -0.972588D+00 -0.191289D+01
      3  -0.510905D+01  0.278819D+01 -0.972588D+00 -0.216129D+01 -0.698862D+00
                41            42            43            44            45 
      1  -0.191289D+01 -0.698862D+00  0.411801D+01 -0.138067D+01 -0.254134D+01
      2   0.133640D+01  0.601834D+00 -0.138067D+01  0.860568D+00  0.155667D+01
      3   0.601834D+00  0.934754D+00 -0.254134D+01  0.155667D+01  0.267502D+01
                46            47            48            49            50 
      1   0.764185D+00 -0.109813D+00  0.120382D+01 -0.207053D+00 -0.379792D+00
      2  -0.109813D+00 -0.183573D+00 -0.700250D-01 -0.379792D+00 -0.776221D+00
      3   0.120382D+01 -0.700250D-01  0.167308D+00 -0.373430D-01  0.120072D+01
                51            52            53            54            55 
      1  -0.373430D-01  0.159159D+01 -0.198625D+00  0.445654D+00 -0.219109D+01
      2   0.120072D+01 -0.198625D+00  0.128603D+01 -0.140299D+01  0.801256D+00
      3  -0.150599D+01  0.445654D+00 -0.140299D+01  0.105227D+02 -0.237594D+01
                56            57            58            59            60 
      1   0.801256D+00 -0.237594D+01  0.110783D+01 -0.596800D+01 -0.130095D+01
      2  -0.487980D+01 -0.115392D+01 -0.596800D+01  0.139895D+01 -0.166302D+01
      3  -0.115392D+01  0.479801D+00 -0.130095D+01 -0.166302D+01 -0.246335D+01
                61            62            63            64            65 
      1  -0.256017D+01 -0.130431D+01 -0.459545D+00 -0.378581D-01  0.147329D+00
      2  -0.130431D+01 -0.185612D+01 -0.222989D+01  0.147329D+00  0.400536D+00
      3  -0.459545D+00 -0.222989D+01  0.621036D+01 -0.608748D+00  0.125391D+00
                66            67            68            69            70 
      1  -0.608748D+00  0.369009D+00  0.836260D+00 -0.104473D+00 -0.193065D+01
      2   0.125391D+00  0.836260D+00  0.498208D+00 -0.950357D+00 -0.628989D-01
      3  -0.465285D+00 -0.104473D+00 -0.950357D+00  0.125515D+01  0.113339D+01
                71            72            73            74            75 
      1  -0.628989D-01  0.113339D+01  0.466076D+01 -0.258877D+01  0.360086D+00
      2  -0.129671D+01  0.119752D+01 -0.258877D+01  0.293937D+01 -0.106140D-01
      3   0.119752D+01 -0.789669D+01  0.360086D+00 -0.106140D-01  0.635409D+00
                76            77            78            79            80 
      1  -0.456907D+01  0.399428D+01  0.159214D+00  0.909204D+00 -0.294324D-01
      2   0.399428D+01 -0.571124D+01  0.378787D+00 -0.294324D-01  0.625480D+00
      3   0.159214D+00  0.378787D+00 -0.975997D+00  0.911243D+00 -0.689816D+00
                81            82            83            84            85 
      1   0.911243D+00  0.455917D+01  0.215507D+01  0.129621D+01  0.352228D+01
      2  -0.689816D+00  0.215507D+01  0.238067D+01  0.751621D+00  0.331346D+01
      3  -0.277781D+00  0.129621D+01  0.751621D+00  0.974147D+00  0.949256D+00
                86            87            88            89            90 
      1   0.331346D+01  0.949256D+00  0.259293D+01  0.108501D+01  0.141646D+01
      2   0.394980D+01  0.146322D+01  0.108501D+01  0.178332D+01  0.152775D+01
      3   0.146322D+01  0.173182D+01  0.141646D+01  0.152775D+01  0.137482D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.636875D+01 -0.238188D+01 -0.366686D+00 -0.247267D+01 -0.143723D+01
      2   0.668364D+01 -0.393712D+01  0.197290D+01 -0.221079D+01 -0.189131D+01
      3   0.963028D+00 -0.401787D+01 -0.112681D+01  0.616086D+00  0.316432D+01
                 6             7             8             9            10 
      1   0.212235D+01 -0.330307D+01  0.596245D+01 -0.180144D+01 -0.218316D+01
      2   0.411773D+01 -0.201301D+01  0.441888D+01  0.930464D-01 -0.272610D+01
      3   0.418995D+01 -0.351906D+01  0.483742D+01 -0.242436D+01  0.635371D+00
                11            12            13            14            15 
      1   0.228146D+01  0.673331D-02  0.243282D+01 -0.672977D+00 -0.238208D+01
      2   0.117241D+01 -0.138046D+01  0.188232D+01 -0.197960D+01 -0.782446D+00
      3  -0.210195D+01  0.140111D+00  0.579896D+01  0.109367D+01 -0.575700D-01
                16            17            18            19            20 
      1   0.106455D+01  0.560362D+00  0.197399D+01 -0.193456D+01 -0.723705D+00
      2  -0.852492D+01  0.435820D+00 -0.472738D+01  0.194487D+01  0.127188D+01
      3   0.101342D+01 -0.999597D+00 -0.479657D+00  0.161751D+01 -0.298008D+01
                21            22            23            24            25 
      1  -0.255087D+01 -0.128505D+01  0.255736D+01 -0.800393D+01 -0.131516D+01
      2   0.433454D+01 -0.149947D+01  0.238775D+01  0.259014D+01 -0.295149D+01
      3   0.282724D+00  0.851885D+01 -0.967666D+01 -0.150339D+01  0.278906D+01
                26            27            28            29            30 
      1   0.296418D+01 -0.236809D+01  0.256772D+00  0.513431D+00 -0.255256D+00
      2   0.196538D+01  0.215024D+01  0.109926D+01  0.362623D+00  0.235944D+00
      3  -0.101632D+01 -0.524552D+00  0.132340D+01  0.274400D+00 -0.555123D+00
                31            32            33            34            35 
      1  -0.198198D+00  0.842186D+00 -0.349128D+01  0.372553D+00 -0.526641D+00
      2   0.815446D+00  0.338944D+01 -0.337480D+01 -0.197912D+01 -0.366445D+01
      3   0.194580D+01  0.400799D+01 -0.312355D+01 -0.173091D+01 -0.383245D+01
                36            37            38            39            40 
      1   0.591300D+01 -0.309307D+01 -0.208642D+00  0.283646D+01  0.503477D+00
      2   0.612817D+01 -0.226437D+01  0.119514D+01  0.469905D+01  0.626580D+00
      3   0.389983D+01 -0.318247D+01 -0.275266D+01  0.117627D+01  0.199278D+00
                41            42            43            44            45 
      1  -0.370282D+00 -0.166778D+01  0.272219D+01 -0.460682D+00 -0.326599D+01
      2  -0.998275D+00 -0.198237D+01  0.128309D+01 -0.183824D+01 -0.430967D+01
      3   0.883432D+00  0.388856D+00  0.240230D+01  0.819036D+00 -0.440560D+00
                46            47            48            49            50 
      1   0.675898D-01  0.151009D+00  0.514404D+00 -0.359606D+00 -0.902276D+00
      2  -0.131488D+00 -0.824582D-01  0.172759D+00  0.622924D+00  0.870399D+00
      3   0.298166D-01 -0.893996D+00  0.612131D-01  0.867728D+00 -0.190707D+00
                51            52            53            54            55 
      1   0.492973D+00 -0.358467D-01  0.424222D+01 -0.113568D+01  0.624236D+00
      2  -0.238808D+00 -0.428472D+01 -0.149874D+00  0.281339D+01 -0.472858D+01
      3  -0.330076D+00 -0.651893D+00 -0.402352D+00 -0.256950D+00 -0.824991D+00
                56            57            58            59            60 
      1   0.107226D+01  0.848950D-01  0.205942D+01 -0.192371D+00 -0.808370D+00
      2  -0.176710D+01  0.270689D+01 -0.208150D+01 -0.387342D+01 -0.407621D+01
      3   0.691357D+01  0.200282D+01  0.143154D+02 -0.342389D+01  0.261628D+01
                61            62            63            64            65 
      1  -0.213966D+00  0.266777D+01  0.334676D+00  0.268856D-01  0.218329D+00
      2  -0.452327D+01 -0.384202D+01  0.916367D+01 -0.191677D+01  0.122306D+00
      3   0.155204D+01  0.302453D+01  0.402167D+01 -0.403294D+00 -0.102660D+01
                66            67            68            69            70 
      1  -0.102504D+00  0.129367D+00 -0.327683D+00 -0.906414D+00 -0.231603D+00
      2   0.614052D+00  0.404577D+00 -0.124740D+01  0.251277D+01 -0.162821D+01
      3  -0.306491D+00 -0.419437D-01 -0.621679D+00  0.149015D+01 -0.549083D+00
                71            72            73            74            75 
      1   0.274182D+01  0.857363D+00  0.520955D+00 -0.677617D+00  0.804423D+00
      2   0.239561D+01 -0.136950D+02  0.482705D+00 -0.284387D+00  0.259014D+01
      3   0.240374D+01 -0.227479D+01  0.430909D+01 -0.695692D+01 -0.261458D-01
                76            77            78            79            80 
      1  -0.730726D+00  0.105624D+01 -0.218707D+01  0.300331D+00  0.700661D+00
      2   0.118539D+00  0.890301D+00 -0.292416D+01  0.465228D+00 -0.964708D+00
      3  -0.497068D+01  0.108894D+02 -0.687523D+00 -0.289330D+00 -0.115346D+01
                81            82            83            84            85 
      1   0.927965D-01 -0.654398D+00 -0.244647D+00 -0.971607D+00 -0.490382D+00
      2  -0.580997D+00  0.196839D+01  0.162221D+01  0.328610D+01  0.132139D+01
      3   0.830251D+00 -0.326907D+01 -0.584012D+01 -0.132398D+01 -0.366589D+01
                86            87            88            89            90 
      1  -0.228472D+00 -0.240031D+01 -0.558376D+00  0.530085D+00 -0.925197D+00
      2   0.245212D+01  0.415815D+01  0.572868D+00  0.244212D+01  0.255316D+01
      3  -0.732436D+01 -0.257180D+01 -0.101655D+01 -0.368056D+01 -0.235088D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.379592D+00  0.364244D-01  0.931841D+01  0.703915D+01  0.952209D+00
      2   0.159647D+01  0.828552D-01 -0.508460D+01 -0.662872D+01  0.374812D+01
      3  -0.121688D+01 -0.119280D+00 -0.423381D+01 -0.410429D+00 -0.470033D+01
      4   0.222171D+01 -0.989496D+00 -0.888561D+01 -0.250900D+01 -0.608966D+01
      5   0.159954D+02 -0.681084D+01 -0.255677D+01 -0.376554D+01 -0.164487D+01
      6  -0.714317D+01  0.353352D+01  0.346974D+01  0.381724D+01  0.823230D+01
                 6             7             8             9            10 
      1  -0.961209D+01  0.124073D+02 -0.954541D+01  0.203981D+01 -0.929526D+01
      2   0.598501D+01 -0.630153D+01  0.698282D+01 -0.227055D+01  0.221217D+01
      3   0.362708D+01 -0.610576D+01  0.256259D+01  0.230735D+00  0.708309D+01
      4   0.270832D+00 -0.797358D+01 -0.159975D+01  0.571796D+01  0.308512D+00
      5   0.107154D+02 -0.307650D+01  0.591792D+01  0.963373D+00  0.384646D+00
      6  -0.114140D+02  0.292224D+01 -0.760091D+01  0.538624D+01  0.117929D+01
                11            12            13            14            15 
      1  -0.129483D+01  0.416518D+01 -0.646283D+00 -0.154238D+01  0.676245D+00
      2   0.674694D+00 -0.287239D-01 -0.393523D+00  0.230263D+01 -0.117516D+01
      3   0.620133D+00 -0.413645D+01  0.103981D+01 -0.760246D+00  0.498920D+00
      4  -0.572804D+01  0.179157D+01  0.234452D+00 -0.277246D+01 -0.105973D+01
      5   0.101791D+01 -0.718343D+01  0.123368D+01 -0.723497D+00 -0.902980D+00
      6  -0.118592D+00  0.434998D+00  0.141235D+01 -0.166170D+00  0.288490D+01
                16            17            18            19            20 
      1   0.163684D+00 -0.240210D+01  0.134406D+02  0.665682D+01  0.582485D+01
      2  -0.801771D+00  0.146356D+00  0.673141D+01 -0.280258D+00 -0.232894D+01
      3   0.638087D+00  0.225574D+01 -0.201720D+02 -0.637656D+01 -0.349591D+01
      4   0.108557D+01 -0.176853D+01  0.197690D+01  0.106903D+02  0.134133D+02
      5   0.872697D+00  0.853748D+00 -0.602435D+01  0.241624D+01  0.274611D+01
      6   0.570917D+00 -0.112308D+00  0.465865D+01  0.305375D+01  0.123917D+01
                21            22            23            24            25 
      1  -0.172042D+01  0.119279D+01 -0.106639D+02 -0.177678D+01  0.920856D+00
      2  -0.225031D+01  0.268024D+01  0.184365D+02 -0.171310D+01 -0.440760D+00
      3   0.397074D+01 -0.387303D+01 -0.777262D+01  0.348988D+01 -0.480096D+00
      4   0.307259D+01  0.136617D+02  0.185648D+02  0.141164D+01  0.278017D+01
      5   0.861619D+01  0.340963D+01  0.793912D+00  0.130285D+01  0.552525D+01
      6   0.911680D+00 -0.146936D+01  0.283235D+01  0.116199D+02  0.260187D+01
                26            27            28            29            30 
      1  -0.163121D+01 -0.655401D+01  0.848352D+00 -0.283872D+01  0.127807D+01
      2   0.119193D+00 -0.475260D+00 -0.257439D+00  0.175185D+01 -0.355483D+00
      3   0.151202D+01  0.702927D+01 -0.590914D+00  0.108687D+01 -0.922586D+00
      4   0.413988D+01  0.529318D+01 -0.209404D+01  0.364090D+01 -0.135885D+01
      5   0.495900D+01  0.513158D+01 -0.238709D+00 -0.913603D+00  0.358550D+01
      6   0.895713D+01  0.569693D+01 -0.194541D+01 -0.116321D+01  0.120353D+00
                31            32            33            34            35 
      1  -0.183527D+01 -0.848317D+01  0.659844D+01  0.534229D+00  0.821271D+01
      2   0.761924D+00  0.101982D+02 -0.550571D+01 -0.605201D+00 -0.581295D+01
      3   0.107335D+01 -0.171502D+01 -0.109273D+01  0.709725D-01 -0.239976D+01
      4   0.511350D+01 -0.603158D+01  0.473133D+01 -0.311205D+01  0.567629D+01
      5  -0.231655D+01  0.560623D+01 -0.605345D+01  0.503822D+01 -0.666000D+01
      6   0.118120D+01 -0.118088D+02  0.111404D+02 -0.216669D+01  0.126260D+02
                36            37            38            39            40 
      1  -0.100978D+02  0.251351D+02 -0.534330D+01 -0.816611D+01 -0.445101D+01
      2   0.602021D+00 -0.123949D+02  0.547155D+00  0.528674D+01 -0.122715D+00
      3   0.949582D+01 -0.127402D+02  0.479615D+01  0.287937D+01  0.457372D+01
      4  -0.538728D+01 -0.156674D+02  0.106372D+02  0.618846D+01  0.103943D+02
      5   0.110486D+02 -0.144406D+02  0.494287D+01  0.109780D+02  0.331888D+01
      6  -0.154319D+02  0.662404D+01 -0.338750D+01 -0.510795D+01 -0.353767D+01
                41            42            43            44            45 
      1   0.301239D+01  0.961172D+00 -0.107593D+02  0.258336D+01  0.343959D+01
      2   0.922012D+00  0.471103D+00  0.717487D+01 -0.907893D+00 -0.531117D+01
      3  -0.393441D+01 -0.143227D+01  0.358440D+01 -0.167547D+01  0.187158D+01
      4  -0.700448D+01 -0.407446D+01  0.835019D+01 -0.529383D+01 -0.676266D+01
      5  -0.369770D+01 -0.370181D+01  0.131747D+02 -0.599595D+01 -0.117195D+02
      6   0.301678D+01  0.481958D+01 -0.578605D+01  0.576350D+01  0.550382D+01
                46            47            48            49            50 
      1   0.523692D+00 -0.961316D-01  0.229878D+00 -0.159704D+00 -0.429060D+01
      2  -0.321025D+01  0.198471D-01 -0.146149D+00  0.339613D+00  0.493562D+00
      3   0.268656D+01  0.762845D-01 -0.837294D-01 -0.179909D+00  0.379704D+01
      4  -0.227831D+00  0.223955D+01 -0.815741D+00  0.160203D+01 -0.350695D+00
      5   0.813608D+00 -0.962343D+00  0.791595D+01 -0.104871D+01  0.106665D+01
      6  -0.992005D+00 -0.731057D-01  0.273394D-01 -0.233823D-01 -0.275800D+01
                51            52            53            54            55 
      1   0.379629D+01 -0.478555D+00  0.344738D+01 -0.240910D+02  0.192822D+01
      2   0.374134D+00 -0.136757D+01  0.353302D+00 -0.142784D+02 -0.474181D+01
      3  -0.417042D+01  0.184613D+01 -0.380069D+01  0.383694D+02  0.281359D+01
      4   0.685692D+00 -0.340244D+00  0.494550D+00 -0.871808D+00  0.252910D+01
      5  -0.865425D+00  0.571558D+01 -0.717873D+00  0.404069D+01 -0.105134D+02
      6   0.753920D+01 -0.759815D+00  0.664891D+01 -0.608277D+01 -0.285719D+01
                56            57            58            59            60 
      1   0.219122D+01 -0.739121D+01  0.223855D+01 -0.149973D+02 -0.374457D+01
      2   0.322413D+00  0.302537D+01  0.262397D+00  0.225568D+01  0.167403D+00
      3  -0.251364D+01  0.436585D+01 -0.250095D+01  0.127416D+02  0.357717D+01
      4  -0.182782D+02 -0.462960D+01 -0.253071D+02  0.549116D+01 -0.739385D+01
      5  -0.446504D+01  0.155452D+01 -0.589577D+01 -0.692963D+01 -0.717027D+01
      6  -0.166947D+01 -0.765991D+00 -0.190224D+01 -0.320032D+01 -0.203344D+01
                61            62            63            64            65 
      1  -0.913367D+01 -0.449206D+01  0.637299D+01  0.596683D-01  0.429061D+00
      2   0.234570D+01 -0.480357D+00  0.212123D+01 -0.158905D+01 -0.446459D+00
      3   0.678797D+01  0.497242D+01 -0.849423D+01  0.152938D+01  0.173980D-01
      4  -0.599527D+01 -0.769319D+01 -0.770529D+01  0.113664D+00  0.286117D+01
      5  -0.120650D+01 -0.725920D+01  0.136119D+02 -0.128822D+01 -0.401400D+00
      6  -0.165827D+01 -0.137812D+01  0.227639D+01 -0.765660D+00  0.602773D+00
                66            67            68            69            70 
      1  -0.293753D+01  0.829488D+00 -0.728386D+00  0.215562D+01 -0.434834D+01
      2   0.132407D+01 -0.699399D+00  0.672611D+00 -0.936184D-01  0.396343D+01
      3   0.161346D+01 -0.130088D+00  0.557749D-01 -0.206200D+01  0.384913D+00
      4  -0.608334D+00  0.454286D+01  0.128415D+01 -0.245671D+01 -0.116661D+01
      5   0.459757D+01 -0.764545D+00 -0.214693D+01  0.398634D+01  0.726786D+01
      6   0.344118D+00 -0.351520D+00 -0.198387D+01  0.572408D+01  0.797338D+00
                71            72            73            74            75 
      1   0.250536D+01 -0.117234D+02  0.191840D+02 -0.100682D+02  0.125292D+01
      2  -0.153661D+00 -0.952381D+01 -0.639858D+01  0.269705D+01 -0.329111D+00
      3  -0.235170D+01  0.212472D+02 -0.127854D+02  0.737111D+01 -0.923812D+00
      4  -0.408991D+01  0.423274D+01 -0.141701D+02  0.161566D+02 -0.130194D+00
      5   0.366258D+01 -0.229553D+02  0.985140D+00  0.785092D-01  0.449471D+01
      6   0.516965D+01 -0.551970D+01  0.457648D+00 -0.181498D+00 -0.100222D+01
                76            77            78            79            80 
      1  -0.134152D+02  0.631194D+01 -0.137965D+00  0.256301D+01  0.544694D+00
      2   0.232254D+01  0.659084D+01 -0.289539D+00 -0.816575D+00 -0.475628D+00
      3   0.110926D+02 -0.129028D+02  0.427504D+00 -0.174643D+01 -0.690660D-01
      4   0.206069D+02 -0.243598D+02  0.189421D+01 -0.265914D+00  0.231466D+01
      5   0.537981D+00  0.156165D+01 -0.492124D+01  0.559140D+01 -0.369349D+01
      6  -0.622676D+00  0.930866D+00  0.361893D+01 -0.196805D+01  0.401197D+01
                81            82            83            84            85 
      1   0.636252D+00  0.182284D+02  0.796386D+01  0.506824D+01  0.108053D+02
      2  -0.909797D+00 -0.638109D+01 -0.172260D+01 -0.199050D+01 -0.171809D+01
      3   0.273544D+00 -0.118473D+02 -0.624126D+01 -0.307773D+01 -0.908723D+01
      4  -0.313877D+01  0.138992D+02  0.148114D+02  0.472666D+01  0.188274D+02
      5  -0.278767D+00  0.670886D+01  0.411878D+01  0.646149D+01  0.529096D+01
      6  -0.120574D+01  0.238870D+01  0.121790D+01  0.156794D+01  0.231913D+01
                86            87            88            89            90 
      1   0.458629D+01  0.151636D+01  0.758207D+01  0.120998D+01  0.894490D+00
      2   0.606557D+01  0.914080D+00 -0.369931D+01  0.661521D+00 -0.232813D+01
      3  -0.106519D+02 -0.243044D+01 -0.388276D+01 -0.187150D+01  0.143364D+01
      4   0.188718D+02  0.681412D+01  0.663773D+01  0.781984D+01  0.664503D+01
      5   0.611417D+01  0.761056D+01  0.826438D+01  0.653645D+01  0.700485D+01
      6   0.425576D+01  0.456412D+01  0.304972D+01  0.467847D+01  0.406904D+01
 Leave Link  716 at Wed Jul 14 16:29:08 2021, MaxMem=  5637144576 cpu:               2.9 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.471671D+02 -0.239680D+01  0.823064D+00
      2  -0.239680D+01  0.387643D+02 -0.649056D+00
      3   0.823064D+00 -0.649056D+00  0.384637D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.867597D+00  0.731016D+00 -0.609762D+01
      2  -0.412586D+01  0.768914D+00  0.706983D+01
      3   0.349321D+01 -0.626931D+01 -0.159817D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.236425D+02 -0.637884D-02  0.287614D+01
      2  -0.140628D+02  0.440942D+01 -0.715250D+01
      3  -0.957971D+01 -0.440304D+01  0.427636D+01
      4   0.168661D+02  0.695194D+01 -0.119788D+01
      5   0.483247D+01  0.301039D+00  0.131481D+02
      6  -0.172961D+01 -0.457008D+01  0.133914D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    30 ND12= 1 LenFil=    1083:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.380497D+01  0.118892D+01 -0.414687D+01 -0.180185D+00 -0.949520D+00
      2   0.118892D+01 -0.208893D+00  0.197060D+01 -0.949520D+00  0.507036D+01
      3  -0.414687D+01  0.197060D+01  0.556518D-02  0.907890D+00  0.223302D+01
                 6             7             8             9            10 
      1   0.907890D+00 -0.621031D+01  0.208844D+01  0.419426D+00  0.693467D+01
      2   0.223302D+01  0.208844D+01  0.247872D+01 -0.251127D+01 -0.109316D+01
      3  -0.242314D+01  0.419426D+00 -0.251127D+01  0.159157D+01  0.311586D+01
                11            12            13            14            15 
      1  -0.109316D+01  0.311586D+01 -0.121838D+01  0.460419D+01  0.469807D+00
      2   0.233580D+01  0.834835D-01  0.460419D+01 -0.364911D-01  0.137502D+01
      3   0.834835D-01 -0.872294D-01  0.469807D+00  0.137502D+01  0.140773D+01
                16            17            18            19            20 
      1   0.434760D+01  0.798665D+00  0.769368D+00 -0.405969D+01 -0.372915D+01
      2   0.798665D+00  0.885958D+00  0.169437D+01 -0.372915D+01 -0.853156D+00
      3   0.769368D+00  0.169437D+01 -0.764754D+01 -0.128643D+01 -0.280369D+00
                21            22            23            24            25 
      1  -0.128643D+01 -0.198176D+01 -0.279529D+01 -0.673882D+00 -0.188175D+01
      2  -0.280369D+00 -0.279529D+01 -0.909335D+01 -0.183092D+01 -0.129208D+01
      3   0.233947D+00 -0.673882D+00 -0.183092D+01 -0.577899D+00 -0.136305D+01
                26            27            28            29            30 
      1  -0.129208D+01 -0.136305D+01 -0.201696D+00  0.946374D+00 -0.346181D+00
      2  -0.149218D+01 -0.231968D+01  0.946374D+00 -0.218918D-01 -0.443572D+00
      3  -0.231968D+01 -0.144346D+01 -0.346181D+00 -0.443572D+00  0.217629D+00
                31            32            33            34            35 
      1   0.124056D+01 -0.742691D+00  0.329345D+00 -0.976439D+00  0.295915D+00
      2  -0.742691D+00  0.336358D+01 -0.280830D+01  0.295915D+00 -0.327507D+01
      3   0.329345D+00 -0.280830D+01  0.261692D+01 -0.731603D+00  0.317733D+01
                36            37            38            39            40 
      1  -0.731603D+00 -0.662348D+01  0.228194D+01  0.278819D+01  0.191677D+01
      2   0.317733D+01  0.228194D+01 -0.190905D+01 -0.972588D+00 -0.191289D+01
      3  -0.510905D+01  0.278819D+01 -0.972588D+00 -0.216129D+01 -0.698862D+00
                41            42            43            44            45 
      1  -0.191289D+01 -0.698862D+00  0.411801D+01 -0.138067D+01 -0.254134D+01
      2   0.133640D+01  0.601834D+00 -0.138067D+01  0.860568D+00  0.155667D+01
      3   0.601834D+00  0.934754D+00 -0.254134D+01  0.155667D+01  0.267502D+01
                46            47            48            49            50 
      1   0.764185D+00 -0.109813D+00  0.120382D+01 -0.207053D+00 -0.379792D+00
      2  -0.109813D+00 -0.183573D+00 -0.700250D-01 -0.379792D+00 -0.776221D+00
      3   0.120382D+01 -0.700250D-01  0.167308D+00 -0.373430D-01  0.120072D+01
                51            52            53            54            55 
      1  -0.373430D-01  0.159159D+01 -0.198625D+00  0.445654D+00 -0.219109D+01
      2   0.120072D+01 -0.198625D+00  0.128603D+01 -0.140299D+01  0.801256D+00
      3  -0.150599D+01  0.445654D+00 -0.140299D+01  0.105227D+02 -0.237594D+01
                56            57            58            59            60 
      1   0.801256D+00 -0.237594D+01  0.110783D+01 -0.596800D+01 -0.130095D+01
      2  -0.487980D+01 -0.115392D+01 -0.596800D+01  0.139895D+01 -0.166302D+01
      3  -0.115392D+01  0.479801D+00 -0.130095D+01 -0.166302D+01 -0.246335D+01
                61            62            63            64            65 
      1  -0.256017D+01 -0.130431D+01 -0.459545D+00 -0.378581D-01  0.147329D+00
      2  -0.130431D+01 -0.185612D+01 -0.222989D+01  0.147329D+00  0.400536D+00
      3  -0.459545D+00 -0.222989D+01  0.621036D+01 -0.608748D+00  0.125391D+00
                66            67            68            69            70 
      1  -0.608748D+00  0.369009D+00  0.836260D+00 -0.104473D+00 -0.193065D+01
      2   0.125391D+00  0.836260D+00  0.498208D+00 -0.950357D+00 -0.628989D-01
      3  -0.465285D+00 -0.104473D+00 -0.950357D+00  0.125515D+01  0.113339D+01
                71            72            73            74            75 
      1  -0.628989D-01  0.113339D+01  0.466076D+01 -0.258877D+01  0.360086D+00
      2  -0.129671D+01  0.119752D+01 -0.258877D+01  0.293937D+01 -0.106140D-01
      3   0.119752D+01 -0.789669D+01  0.360086D+00 -0.106140D-01  0.635409D+00
                76            77            78            79            80 
      1  -0.456907D+01  0.399428D+01  0.159214D+00  0.909204D+00 -0.294324D-01
      2   0.399428D+01 -0.571124D+01  0.378787D+00 -0.294324D-01  0.625480D+00
      3   0.159214D+00  0.378787D+00 -0.975997D+00  0.911243D+00 -0.689816D+00
                81            82            83            84            85 
      1   0.911243D+00  0.455917D+01  0.215507D+01  0.129621D+01  0.352228D+01
      2  -0.689816D+00  0.215507D+01  0.238067D+01  0.751621D+00  0.331346D+01
      3  -0.277781D+00  0.129621D+01  0.751621D+00  0.974147D+00  0.949256D+00
                86            87            88            89            90 
      1   0.331346D+01  0.949256D+00  0.259293D+01  0.108501D+01  0.141646D+01
      2   0.394980D+01  0.146322D+01  0.108501D+01  0.178332D+01  0.152775D+01
      3   0.146322D+01  0.173182D+01  0.141646D+01  0.152775D+01  0.137482D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.636875D+01 -0.238188D+01 -0.366686D+00 -0.247267D+01 -0.143723D+01
      2   0.668364D+01 -0.393712D+01  0.197290D+01 -0.221079D+01 -0.189131D+01
      3   0.963028D+00 -0.401787D+01 -0.112681D+01  0.616086D+00  0.316432D+01
                 6             7             8             9            10 
      1   0.212235D+01 -0.330307D+01  0.596245D+01 -0.180144D+01 -0.218316D+01
      2   0.411773D+01 -0.201301D+01  0.441888D+01  0.930464D-01 -0.272610D+01
      3   0.418995D+01 -0.351906D+01  0.483742D+01 -0.242436D+01  0.635371D+00
                11            12            13            14            15 
      1   0.228146D+01  0.673331D-02  0.243282D+01 -0.672977D+00 -0.238208D+01
      2   0.117241D+01 -0.138046D+01  0.188232D+01 -0.197960D+01 -0.782446D+00
      3  -0.210195D+01  0.140111D+00  0.579896D+01  0.109367D+01 -0.575700D-01
                16            17            18            19            20 
      1   0.106455D+01  0.560362D+00  0.197399D+01 -0.193456D+01 -0.723705D+00
      2  -0.852492D+01  0.435820D+00 -0.472738D+01  0.194487D+01  0.127188D+01
      3   0.101342D+01 -0.999597D+00 -0.479657D+00  0.161751D+01 -0.298008D+01
                21            22            23            24            25 
      1  -0.255087D+01 -0.128505D+01  0.255736D+01 -0.800393D+01 -0.131516D+01
      2   0.433454D+01 -0.149947D+01  0.238775D+01  0.259014D+01 -0.295149D+01
      3   0.282724D+00  0.851885D+01 -0.967666D+01 -0.150339D+01  0.278906D+01
                26            27            28            29            30 
      1   0.296418D+01 -0.236809D+01  0.256772D+00  0.513431D+00 -0.255256D+00
      2   0.196538D+01  0.215024D+01  0.109926D+01  0.362623D+00  0.235944D+00
      3  -0.101632D+01 -0.524552D+00  0.132340D+01  0.274400D+00 -0.555123D+00
                31            32            33            34            35 
      1  -0.198198D+00  0.842186D+00 -0.349128D+01  0.372553D+00 -0.526641D+00
      2   0.815446D+00  0.338944D+01 -0.337480D+01 -0.197912D+01 -0.366445D+01
      3   0.194580D+01  0.400799D+01 -0.312355D+01 -0.173091D+01 -0.383245D+01
                36            37            38            39            40 
      1   0.591300D+01 -0.309307D+01 -0.208642D+00  0.283646D+01  0.503477D+00
      2   0.612817D+01 -0.226437D+01  0.119514D+01  0.469905D+01  0.626580D+00
      3   0.389983D+01 -0.318247D+01 -0.275266D+01  0.117627D+01  0.199278D+00
                41            42            43            44            45 
      1  -0.370282D+00 -0.166778D+01  0.272219D+01 -0.460682D+00 -0.326599D+01
      2  -0.998275D+00 -0.198237D+01  0.128309D+01 -0.183824D+01 -0.430967D+01
      3   0.883432D+00  0.388856D+00  0.240230D+01  0.819036D+00 -0.440560D+00
                46            47            48            49            50 
      1   0.675898D-01  0.151009D+00  0.514404D+00 -0.359606D+00 -0.902276D+00
      2  -0.131488D+00 -0.824582D-01  0.172759D+00  0.622924D+00  0.870399D+00
      3   0.298166D-01 -0.893996D+00  0.612131D-01  0.867728D+00 -0.190707D+00
                51            52            53            54            55 
      1   0.492973D+00 -0.358467D-01  0.424222D+01 -0.113568D+01  0.624236D+00
      2  -0.238808D+00 -0.428472D+01 -0.149874D+00  0.281339D+01 -0.472858D+01
      3  -0.330076D+00 -0.651893D+00 -0.402352D+00 -0.256950D+00 -0.824991D+00
                56            57            58            59            60 
      1   0.107226D+01  0.848950D-01  0.205942D+01 -0.192371D+00 -0.808370D+00
      2  -0.176710D+01  0.270689D+01 -0.208150D+01 -0.387342D+01 -0.407621D+01
      3   0.691357D+01  0.200282D+01  0.143154D+02 -0.342389D+01  0.261628D+01
                61            62            63            64            65 
      1  -0.213966D+00  0.266777D+01  0.334676D+00  0.268856D-01  0.218329D+00
      2  -0.452327D+01 -0.384202D+01  0.916367D+01 -0.191677D+01  0.122306D+00
      3   0.155204D+01  0.302453D+01  0.402167D+01 -0.403294D+00 -0.102660D+01
                66            67            68            69            70 
      1  -0.102504D+00  0.129367D+00 -0.327683D+00 -0.906414D+00 -0.231603D+00
      2   0.614052D+00  0.404577D+00 -0.124740D+01  0.251277D+01 -0.162821D+01
      3  -0.306491D+00 -0.419437D-01 -0.621679D+00  0.149015D+01 -0.549083D+00
                71            72            73            74            75 
      1   0.274182D+01  0.857363D+00  0.520955D+00 -0.677617D+00  0.804423D+00
      2   0.239561D+01 -0.136950D+02  0.482705D+00 -0.284387D+00  0.259014D+01
      3   0.240374D+01 -0.227479D+01  0.430909D+01 -0.695692D+01 -0.261458D-01
                76            77            78            79            80 
      1  -0.730726D+00  0.105624D+01 -0.218707D+01  0.300331D+00  0.700661D+00
      2   0.118539D+00  0.890301D+00 -0.292416D+01  0.465228D+00 -0.964708D+00
      3  -0.497068D+01  0.108894D+02 -0.687523D+00 -0.289330D+00 -0.115346D+01
                81            82            83            84            85 
      1   0.927965D-01 -0.654398D+00 -0.244647D+00 -0.971607D+00 -0.490382D+00
      2  -0.580997D+00  0.196839D+01  0.162221D+01  0.328610D+01  0.132139D+01
      3   0.830251D+00 -0.326907D+01 -0.584012D+01 -0.132398D+01 -0.366589D+01
                86            87            88            89            90 
      1  -0.228472D+00 -0.240031D+01 -0.558376D+00  0.530085D+00 -0.925197D+00
      2   0.245212D+01  0.415815D+01  0.572868D+00  0.244212D+01  0.255316D+01
      3  -0.732436D+01 -0.257180D+01 -0.101655D+01 -0.368056D+01 -0.235088D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.379592D+00  0.364244D-01  0.931841D+01  0.703915D+01  0.952209D+00
      2   0.159647D+01  0.828552D-01 -0.508460D+01 -0.662872D+01  0.374812D+01
      3  -0.121688D+01 -0.119280D+00 -0.423381D+01 -0.410429D+00 -0.470033D+01
      4   0.222171D+01 -0.989496D+00 -0.888561D+01 -0.250900D+01 -0.608966D+01
      5   0.159954D+02 -0.681084D+01 -0.255677D+01 -0.376554D+01 -0.164487D+01
      6  -0.714317D+01  0.353352D+01  0.346974D+01  0.381724D+01  0.823230D+01
                 6             7             8             9            10 
      1  -0.961209D+01  0.124073D+02 -0.954541D+01  0.203981D+01 -0.929526D+01
      2   0.598501D+01 -0.630153D+01  0.698282D+01 -0.227055D+01  0.221217D+01
      3   0.362708D+01 -0.610576D+01  0.256259D+01  0.230735D+00  0.708309D+01
      4   0.270832D+00 -0.797358D+01 -0.159975D+01  0.571796D+01  0.308512D+00
      5   0.107154D+02 -0.307650D+01  0.591792D+01  0.963373D+00  0.384646D+00
      6  -0.114140D+02  0.292224D+01 -0.760091D+01  0.538624D+01  0.117929D+01
                11            12            13            14            15 
      1  -0.129483D+01  0.416518D+01 -0.646283D+00 -0.154238D+01  0.676245D+00
      2   0.674694D+00 -0.287239D-01 -0.393523D+00  0.230263D+01 -0.117516D+01
      3   0.620133D+00 -0.413645D+01  0.103981D+01 -0.760246D+00  0.498920D+00
      4  -0.572804D+01  0.179157D+01  0.234452D+00 -0.277246D+01 -0.105973D+01
      5   0.101791D+01 -0.718343D+01  0.123368D+01 -0.723497D+00 -0.902980D+00
      6  -0.118592D+00  0.434998D+00  0.141235D+01 -0.166170D+00  0.288490D+01
                16            17            18            19            20 
      1   0.163684D+00 -0.240210D+01  0.134406D+02  0.665682D+01  0.582485D+01
      2  -0.801771D+00  0.146356D+00  0.673141D+01 -0.280258D+00 -0.232894D+01
      3   0.638087D+00  0.225574D+01 -0.201720D+02 -0.637656D+01 -0.349591D+01
      4   0.108557D+01 -0.176853D+01  0.197690D+01  0.106903D+02  0.134133D+02
      5   0.872697D+00  0.853748D+00 -0.602435D+01  0.241624D+01  0.274611D+01
      6   0.570917D+00 -0.112308D+00  0.465865D+01  0.305375D+01  0.123917D+01
                21            22            23            24            25 
      1  -0.172042D+01  0.119279D+01 -0.106639D+02 -0.177678D+01  0.920856D+00
      2  -0.225031D+01  0.268024D+01  0.184365D+02 -0.171310D+01 -0.440760D+00
      3   0.397074D+01 -0.387303D+01 -0.777262D+01  0.348988D+01 -0.480096D+00
      4   0.307259D+01  0.136617D+02  0.185648D+02  0.141164D+01  0.278017D+01
      5   0.861619D+01  0.340963D+01  0.793912D+00  0.130285D+01  0.552525D+01
      6   0.911680D+00 -0.146936D+01  0.283235D+01  0.116199D+02  0.260187D+01
                26            27            28            29            30 
      1  -0.163121D+01 -0.655401D+01  0.848352D+00 -0.283872D+01  0.127807D+01
      2   0.119193D+00 -0.475260D+00 -0.257439D+00  0.175185D+01 -0.355483D+00
      3   0.151202D+01  0.702927D+01 -0.590914D+00  0.108687D+01 -0.922586D+00
      4   0.413988D+01  0.529318D+01 -0.209404D+01  0.364090D+01 -0.135885D+01
      5   0.495900D+01  0.513158D+01 -0.238709D+00 -0.913603D+00  0.358550D+01
      6   0.895713D+01  0.569693D+01 -0.194541D+01 -0.116321D+01  0.120353D+00
                31            32            33            34            35 
      1  -0.183527D+01 -0.848317D+01  0.659844D+01  0.534229D+00  0.821271D+01
      2   0.761924D+00  0.101982D+02 -0.550571D+01 -0.605201D+00 -0.581295D+01
      3   0.107335D+01 -0.171502D+01 -0.109273D+01  0.709725D-01 -0.239976D+01
      4   0.511350D+01 -0.603158D+01  0.473133D+01 -0.311205D+01  0.567629D+01
      5  -0.231655D+01  0.560623D+01 -0.605345D+01  0.503822D+01 -0.666000D+01
      6   0.118120D+01 -0.118088D+02  0.111404D+02 -0.216669D+01  0.126260D+02
                36            37            38            39            40 
      1  -0.100978D+02  0.251351D+02 -0.534330D+01 -0.816611D+01 -0.445101D+01
      2   0.602021D+00 -0.123949D+02  0.547155D+00  0.528674D+01 -0.122715D+00
      3   0.949582D+01 -0.127402D+02  0.479615D+01  0.287937D+01  0.457372D+01
      4  -0.538728D+01 -0.156674D+02  0.106372D+02  0.618846D+01  0.103943D+02
      5   0.110486D+02 -0.144406D+02  0.494287D+01  0.109780D+02  0.331888D+01
      6  -0.154319D+02  0.662404D+01 -0.338750D+01 -0.510795D+01 -0.353767D+01
                41            42            43            44            45 
      1   0.301239D+01  0.961172D+00 -0.107593D+02  0.258336D+01  0.343959D+01
      2   0.922012D+00  0.471103D+00  0.717487D+01 -0.907893D+00 -0.531117D+01
      3  -0.393441D+01 -0.143227D+01  0.358440D+01 -0.167547D+01  0.187158D+01
      4  -0.700448D+01 -0.407446D+01  0.835019D+01 -0.529383D+01 -0.676266D+01
      5  -0.369770D+01 -0.370181D+01  0.131747D+02 -0.599595D+01 -0.117195D+02
      6   0.301678D+01  0.481958D+01 -0.578605D+01  0.576350D+01  0.550382D+01
                46            47            48            49            50 
      1   0.523692D+00 -0.961316D-01  0.229878D+00 -0.159704D+00 -0.429060D+01
      2  -0.321025D+01  0.198471D-01 -0.146149D+00  0.339613D+00  0.493562D+00
      3   0.268656D+01  0.762845D-01 -0.837294D-01 -0.179909D+00  0.379704D+01
      4  -0.227831D+00  0.223955D+01 -0.815741D+00  0.160203D+01 -0.350695D+00
      5   0.813608D+00 -0.962343D+00  0.791595D+01 -0.104871D+01  0.106665D+01
      6  -0.992005D+00 -0.731057D-01  0.273394D-01 -0.233823D-01 -0.275800D+01
                51            52            53            54            55 
      1   0.379629D+01 -0.478555D+00  0.344738D+01 -0.240910D+02  0.192822D+01
      2   0.374134D+00 -0.136757D+01  0.353302D+00 -0.142784D+02 -0.474181D+01
      3  -0.417042D+01  0.184613D+01 -0.380069D+01  0.383694D+02  0.281359D+01
      4   0.685692D+00 -0.340244D+00  0.494550D+00 -0.871808D+00  0.252910D+01
      5  -0.865425D+00  0.571558D+01 -0.717873D+00  0.404069D+01 -0.105134D+02
      6   0.753920D+01 -0.759815D+00  0.664891D+01 -0.608277D+01 -0.285719D+01
                56            57            58            59            60 
      1   0.219122D+01 -0.739121D+01  0.223855D+01 -0.149973D+02 -0.374457D+01
      2   0.322413D+00  0.302537D+01  0.262397D+00  0.225568D+01  0.167403D+00
      3  -0.251364D+01  0.436585D+01 -0.250095D+01  0.127416D+02  0.357717D+01
      4  -0.182782D+02 -0.462960D+01 -0.253071D+02  0.549116D+01 -0.739385D+01
      5  -0.446504D+01  0.155452D+01 -0.589577D+01 -0.692963D+01 -0.717027D+01
      6  -0.166947D+01 -0.765991D+00 -0.190224D+01 -0.320032D+01 -0.203344D+01
                61            62            63            64            65 
      1  -0.913367D+01 -0.449206D+01  0.637299D+01  0.596683D-01  0.429061D+00
      2   0.234570D+01 -0.480357D+00  0.212123D+01 -0.158905D+01 -0.446459D+00
      3   0.678797D+01  0.497242D+01 -0.849423D+01  0.152938D+01  0.173980D-01
      4  -0.599527D+01 -0.769319D+01 -0.770529D+01  0.113664D+00  0.286117D+01
      5  -0.120650D+01 -0.725920D+01  0.136119D+02 -0.128822D+01 -0.401400D+00
      6  -0.165827D+01 -0.137812D+01  0.227639D+01 -0.765660D+00  0.602773D+00
                66            67            68            69            70 
      1  -0.293753D+01  0.829488D+00 -0.728386D+00  0.215562D+01 -0.434834D+01
      2   0.132407D+01 -0.699399D+00  0.672611D+00 -0.936184D-01  0.396343D+01
      3   0.161346D+01 -0.130088D+00  0.557749D-01 -0.206200D+01  0.384913D+00
      4  -0.608334D+00  0.454286D+01  0.128415D+01 -0.245671D+01 -0.116661D+01
      5   0.459757D+01 -0.764545D+00 -0.214693D+01  0.398634D+01  0.726786D+01
      6   0.344118D+00 -0.351520D+00 -0.198387D+01  0.572408D+01  0.797338D+00
                71            72            73            74            75 
      1   0.250536D+01 -0.117234D+02  0.191840D+02 -0.100682D+02  0.125292D+01
      2  -0.153661D+00 -0.952381D+01 -0.639858D+01  0.269705D+01 -0.329111D+00
      3  -0.235170D+01  0.212472D+02 -0.127854D+02  0.737111D+01 -0.923812D+00
      4  -0.408991D+01  0.423274D+01 -0.141701D+02  0.161566D+02 -0.130194D+00
      5   0.366258D+01 -0.229553D+02  0.985140D+00  0.785092D-01  0.449471D+01
      6   0.516965D+01 -0.551970D+01  0.457648D+00 -0.181498D+00 -0.100222D+01
                76            77            78            79            80 
      1  -0.134152D+02  0.631194D+01 -0.137965D+00  0.256301D+01  0.544694D+00
      2   0.232254D+01  0.659084D+01 -0.289539D+00 -0.816575D+00 -0.475628D+00
      3   0.110926D+02 -0.129028D+02  0.427504D+00 -0.174643D+01 -0.690660D-01
      4   0.206069D+02 -0.243598D+02  0.189421D+01 -0.265914D+00  0.231466D+01
      5   0.537981D+00  0.156165D+01 -0.492124D+01  0.559140D+01 -0.369349D+01
      6  -0.622676D+00  0.930866D+00  0.361893D+01 -0.196805D+01  0.401197D+01
                81            82            83            84            85 
      1   0.636252D+00  0.182284D+02  0.796386D+01  0.506824D+01  0.108053D+02
      2  -0.909797D+00 -0.638109D+01 -0.172260D+01 -0.199050D+01 -0.171809D+01
      3   0.273544D+00 -0.118473D+02 -0.624126D+01 -0.307773D+01 -0.908723D+01
      4  -0.313877D+01  0.138992D+02  0.148114D+02  0.472666D+01  0.188274D+02
      5  -0.278767D+00  0.670886D+01  0.411878D+01  0.646149D+01  0.529096D+01
      6  -0.120574D+01  0.238870D+01  0.121790D+01  0.156794D+01  0.231913D+01
                86            87            88            89            90 
      1   0.458629D+01  0.151636D+01  0.758207D+01  0.120998D+01  0.894490D+00
      2   0.606557D+01  0.914080D+00 -0.369931D+01  0.661521D+00 -0.232813D+01
      3  -0.106519D+02 -0.243044D+01 -0.388276D+01 -0.187150D+01  0.143364D+01
      4   0.188718D+02  0.681412D+01  0.663773D+01  0.781984D+01  0.664503D+01
      5   0.611417D+01  0.761056D+01  0.826438D+01  0.653645D+01  0.700485D+01
      6   0.425576D+01  0.456412D+01  0.304972D+01  0.467847D+01  0.406904D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.337217D+00      0.857120D+00      0.285904D+01
   y          0.651403D+00      0.165570D+01      0.552283D+01
   z          0.266668D+00      0.677803D+00      0.226091D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.448764D+02      0.664999D+01      0.739912D+01
   yx        -0.293313D+01     -0.434645D+00     -0.483607D+00
   yy         0.357864D+02      0.530300D+01      0.590038D+01
   zx         0.962235D+00      0.142589D+00      0.158651D+00
   zy        -0.123787D+01     -0.183434D+00     -0.204098D+00
   zz         0.361063D+02      0.535040D+01      0.595312D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.414650D+02      0.614448D+01      0.683666D+01
   aniso      0.968259D+01      0.143481D+01      0.159644D+01
   xx         0.471671D+02      0.698944D+01      0.777680D+01
   yx        -0.239680D+01     -0.355169D+00     -0.395178D+00
   yy         0.387643D+02      0.574427D+01      0.639137D+01
   zx         0.823064D+00      0.121965D+00      0.135705D+00
   zy        -0.649056D+00     -0.961801D-01     -0.107015D+00
   zz         0.384637D+02      0.569974D+01      0.634181D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.95195356          1.18247855          0.08505260
     6         -0.13116355         -0.87721094          0.38118758
     8         -0.74953804          0.08328687         -2.07320661
     1         -1.37075432          3.10238706          0.52204999
     1         -3.96335442          0.81158928          0.25066262
     1         -0.88989594         -2.75655362          0.73067889
     6          2.52045704         -0.44129423          1.28748780
     1          3.12084466          1.48662089          0.87574127
     1          3.82761779         -1.74058113          0.35971124
     1          2.64779815         -0.75360554          3.32444940

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.780483D+00      0.198379D+01      0.661721D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.780483D+00      0.198379D+01      0.661721D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.389230D+02      0.576780D+01      0.641754D+01
   aniso      0.106305D+02      0.157527D+01      0.175273D+01
   xx         0.429366D+02      0.636254D+01      0.707928D+01
   yx        -0.401395D+01     -0.594805D+00     -0.661810D+00
   yy         0.388492D+02      0.575685D+01      0.640536D+01
   zx         0.223041D+01      0.330513D+00      0.367746D+00
   zy        -0.874592D+00     -0.129601D+00     -0.144201D+00
   zz         0.349833D+02      0.518399D+01      0.576797D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.414650D+02      0.614448D+01      0.683666D+01
   aniso      0.968259D+01      0.143481D+01      0.159644D+01
   xx         0.452814D+02      0.671002D+01      0.746590D+01
   yx        -0.372434D+01     -0.551890D+00     -0.614061D+00
   yy         0.406716D+02      0.602691D+01      0.670584D+01
   zx         0.210810D+01      0.312389D+00      0.347580D+00
   zy        -0.877220D+00     -0.129991D+00     -0.144634D+00
   zz         0.384420D+02      0.569652D+01      0.633824D+01

 ----------------------------------------------------------------------
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 @


 SIC AS THE CAWSE OF EWERY THING IS, SIC WILBE THE EFFECT.
 -- PROVERBS AND REASONS OF THE YEAR 1585
           AS REPRINTED IN PAISLEY MAGAZINE 1828.
 Job cpu time:       0 days  0 hours 13 minutes  1.2 seconds.
 Elapsed time:       0 days  0 hours  1 minutes 41.7 seconds.
 File lengths (MBytes):  RWF=     98 Int=      0 D2E=      0 Chk=      4 Scr=      2
 Normal termination of Gaussian 16 at Wed Jul 14 16:29:09 2021.
